arsoric acid;3H-1,3-benzoxazol-2-one

C7H8AsNO6 — CID 160734484

IUPACarsoric acid;3H-1,3-benzoxazol-2-one
SMILESO=[As](O)(O)O.O=c1[nH]c2ccccc2o1
InChIInChI=1S/C7H5NO2.AsH3O4/c9-7-8-5-3-1-2-4-6(5)10-7;2-1(3,4)5/h1-4H,(H,8,9);(H3,2,3,4,5)
InChIKeyRUTRLIBMCIRSAC-UHFFFAOYSA-N
MW277.06 g/mol
LogP-1.05
Rot. Bonds

About arsoric acid;3H-1,3-benzoxazol-2-one

arsoric acid;3H-1,3-benzoxazol-2-one (PubChem CID 160734484) has the molecular formula C7H8AsNO6 and a molecular weight of 277.06 g/mol. Its IUPAC name is arsoric acid;3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Namearsoric acid;3H-1,3-benzoxazol-2-one
PubChem CID160734484
Molecular FormulaC7H8AsNO6
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Namearsoric acid;3H-1,3-benzoxazol-2-one
SMILESO=[As](O)(O)O.O=c1[nH]c2ccccc2o1
InChIInChI=1S/C7H5NO2.AsH3O4/c9-7-8-5-3-1-2-4-6(5)10-7;2-1(3,4)5/h1-4H,(H,8,9);(H3,2,3,4,5)
InChIKeyRUTRLIBMCIRSAC-UHFFFAOYSA-N
XLogP-1.05
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3H-1,3-benzoxazol-2-one;ethane;methane
CID 142031035
3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone
CID 68509499
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
1H-3,1-benzoxazine-2,4-dione;hydrochloride
CID 142025242
1-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylthiourea
CID 34883375
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
2-oxo-3H-1,3-benzoxazole-5-carbohydrazide
CID 116843327
5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one
CID 117283453
5-(2-bromo-2-chloroacetyl)-3H-1,3-benzoxazol-2-one
CID 116863919
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
3H-1,3-benzoxazol-2-one;3-propanoyl-1,3-benzoxazol-2-one;propanoyl propanoate;sulfane
CID 160832866
6-methylsulfanyl-3H-1,3-benzoxazol-2-one
CID 130992219

Frequently Asked Questions

What is the IUPAC name of arsoric acid;3H-1,3-benzoxazol-2-one?
The IUPAC name of arsoric acid;3H-1,3-benzoxazol-2-one (CID 160734484) is arsoric acid;3H-1,3-benzoxazol-2-one.
What is the SMILES notation for arsoric acid;3H-1,3-benzoxazol-2-one?
The canonical SMILES for arsoric acid;3H-1,3-benzoxazol-2-one is O=[As](O)(O)O.O=c1[nH]c2ccccc2o1.
What is the InChIKey of arsoric acid;3H-1,3-benzoxazol-2-one?
The InChIKey is RUTRLIBMCIRSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2.AsH3O4/c9-7-8-5-3-1-2-4-6(5)10-7;2-1(3,4)5/h1-4H,(H,8,9);(H3,2,3,4,5).
What are the key properties of arsoric acid;3H-1,3-benzoxazol-2-one?
arsoric acid;3H-1,3-benzoxazol-2-one has a molecular weight of 277.06 g/mol, XLogP of -1.05, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for arsoric acid;3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 160734484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).