1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver

C16H14Ag2B2O8 — CID 160721373

IUPAC1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver
SMILESO=COc1cccc2c1B(O)OC2.O=Cc1cccc2c1B(O)OC2.O=[Ag].[Ag]
InChIInChI=1S/C8H7BO4.C8H7BO3.2Ag.O/c10-5-12-7-3-1-2-6-4-13-9(11)8(6)7;10-4-6-2-1-3-7-5-12-9(11)8(6)7;;;/h1-3,5,11H,4H2;1-4,11H,5H2;;;
InChIKeyRPYXAXVTWVBAKN-UHFFFAOYSA-N
MW571.64 g/mol
LogP-0.97
Rot. Bonds3

About 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver

1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver (PubChem CID 160721373) has the molecular formula C16H14Ag2B2O8 and a molecular weight of 571.64 g/mol. Its IUPAC name is 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver.

Molecular Properties

Compound Name1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver
PubChem CID160721373
Molecular FormulaC16H14Ag2B2O8
Molecular Weight571.64 g/mol
Exact Mass569.90
IUPAC Name1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver
SMILESO=COc1cccc2c1B(O)OC2.O=Cc1cccc2c1B(O)OC2.O=[Ag].[Ag]
InChIInChI=1S/C8H7BO4.C8H7BO3.2Ag.O/c10-5-12-7-3-1-2-6-4-13-9(11)8(6)7;10-4-6-2-1-3-7-5-12-9(11)8(6)7;;;/h1-3,5,11H,4H2;1-4,11H,5H2;;;
InChIKeyRPYXAXVTWVBAKN-UHFFFAOYSA-N
XLogP-0.97
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.64
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)oxy]ethanamine
CID 57451835
3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)prop-2-en-1-ol
CID 66958494
9H-thioxanthen-1-yl formate
CID 174830619
1-hydroxy-3H-2,1-benzoxaborole;hydrochloride
CID 140657530
1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-5,5-dimethylhexan-3-one
CID 58404065
2-hydroxy-3-(2-methylphenoxy)benzaldehyde
CID 13066661
2-(2,3-diformylphenoxy)acetic acid
CID 163373860
(3-hydroxy-2-methylphenyl) formate
CID 153313230
(2-amino-3-methylphenyl) formate
CID 163024542
ethyl 2-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-formylphenoxy]acetate
CID 59515287
[7-(3-aminopropoxy)-3H-2,1-benzoxaborol-1-yl] acetate
CID 68646385
1-[(1-hydroxy-7-phenyl-3H-2,1-benzoxaborol-6-yl)oxy]propan-2-one
CID 90457849

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver?
The IUPAC name of 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver (CID 160721373) is 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver.
What is the SMILES notation for 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver?
The canonical SMILES for 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver is O=COc1cccc2c1B(O)OC2.O=Cc1cccc2c1B(O)OC2.O=[Ag].[Ag].
What is the InChIKey of 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver?
The InChIKey is RPYXAXVTWVBAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BO4.C8H7BO3.2Ag.O/c10-5-12-7-3-1-2-6-4-13-9(11)8(6)7;10-4-6-2-1-3-7-5-12-9(11)8(6)7;;;/h1-3,5,11H,4H2;1-4,11H,5H2;;;.
What are the key properties of 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver?
1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver has a molecular weight of 571.64 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde;(1-hydroxy-3H-2,1-benzoxaborol-7-yl) formate;oxosilver;silver is sourced from PubChem (CID 160721373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).