carbonic acid;(2-oxochromen-3-yl) acetate

C12H10O7 — CID 87637684

IUPACcarbonic acid;(2-oxochromen-3-yl) acetate
SMILESCC(=O)Oc1cc2ccccc2oc1=O.O=C(O)O
InChIInChI=1S/C11H8O4.CH2O3/c1-7(12)14-10-6-8-4-2-3-5-9(8)15-11(10)13;2-1(3)4/h2-6H,1H3;(H2,2,3,4)
InChIKeyLONZEJKNFSZHPV-UHFFFAOYSA-N
MW266.20 g/mol
LogP1.94
Rot. Bonds1

About carbonic acid;(2-oxochromen-3-yl) acetate

carbonic acid;(2-oxochromen-3-yl) acetate (PubChem CID 87637684) has the molecular formula C12H10O7 and a molecular weight of 266.20 g/mol. Its IUPAC name is carbonic acid;(2-oxochromen-3-yl) acetate.

Molecular Properties

Compound Namecarbonic acid;(2-oxochromen-3-yl) acetate
PubChem CID87637684
Molecular FormulaC12H10O7
Molecular Weight266.20 g/mol
Exact Mass266.04
IUPAC Namecarbonic acid;(2-oxochromen-3-yl) acetate
SMILESCC(=O)Oc1cc2ccccc2oc1=O.O=C(O)O
InChIInChI=1S/C11H8O4.CH2O3/c1-7(12)14-10-6-8-4-2-3-5-9(8)15-11(10)13;2-1(3)4/h2-6H,1H3;(H2,2,3,4)
InChIKeyLONZEJKNFSZHPV-UHFFFAOYSA-N
XLogP1.94
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7-amino-2-oxochromen-3-yl) acetate
CID 141051304
(7-chloro-2-oxochromen-3-yl) acetate
CID 118378743
[2-amino-4-(1-benzofuran-2-yl)phenyl] acetate
CID 89335862
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
(2-oxochromen-3-yl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 102460368
[2-(1-benzofuran-2-yl)-3,5-dimethyl-6-oxopyran-4-yl] acetate;7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18505647
3-(2,2-diiodoethoxy)chromen-2-one
CID 54237497
acetic acid;3-(hydroxymethyl)chromen-2-one
CID 174966490
2-oxochromene-3-carboxylic acid
CID 161011590
(2-oxochromen-3-yl) 2-[4-(2-methylpropyl)phenyl]propanoate
CID 141062878
3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
7-benzoyl-3-methoxychromen-2-one
CID 174796943

Frequently Asked Questions

What is the IUPAC name of carbonic acid;(2-oxochromen-3-yl) acetate?
The IUPAC name of carbonic acid;(2-oxochromen-3-yl) acetate (CID 87637684) is carbonic acid;(2-oxochromen-3-yl) acetate.
What is the SMILES notation for carbonic acid;(2-oxochromen-3-yl) acetate?
The canonical SMILES for carbonic acid;(2-oxochromen-3-yl) acetate is CC(=O)Oc1cc2ccccc2oc1=O.O=C(O)O.
What is the InChIKey of carbonic acid;(2-oxochromen-3-yl) acetate?
The InChIKey is LONZEJKNFSZHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4.CH2O3/c1-7(12)14-10-6-8-4-2-3-5-9(8)15-11(10)13;2-1(3)4/h2-6H,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;(2-oxochromen-3-yl) acetate?
carbonic acid;(2-oxochromen-3-yl) acetate has a molecular weight of 266.20 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;(2-oxochromen-3-yl) acetate is sourced from PubChem (CID 87637684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).