4-oxo-2,3-dihydrochromene-3-carboxylic acid

C10H8O4 — CID 68674763

IUPAC4-oxo-2,3-dihydrochromene-3-carboxylic acid
SMILESO=C(O)C1COc2ccccc2C1=O
InChIInChI=1S/C10H8O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-4,7H,5H2,(H,12,13)
InChIKeyAOOCVVJRKRIDCB-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.96
Rot. Bonds1

About 4-oxo-2,3-dihydrochromene-3-carboxylic acid

4-oxo-2,3-dihydrochromene-3-carboxylic acid (PubChem CID 68674763) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-oxo-2,3-dihydrochromene-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2,3-dihydrochromene-3-carboxylic acid
PubChem CID68674763
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name4-oxo-2,3-dihydrochromene-3-carboxylic acid
SMILESO=C(O)C1COc2ccccc2C1=O
InChIInChI=1S/C10H8O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-4,7H,5H2,(H,12,13)
InChIKeyAOOCVVJRKRIDCB-UHFFFAOYSA-N
XLogP0.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-oxo-2,3-dihydrochromen-3-yl)butane-1,2-dione
CID 56993731
3-(2,2-diethoxyacetyl)-2,3-dihydrochromen-4-one
CID 116698642
(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
3-hydroxysulfanyl-2,3-dihydrochromen-4-one
CID 57186431
dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium
CID 22974592
3-cyclopropyl-2,3-dihydrochromen-4-one
CID 69056913
4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepine-3-carboxylic acid
CID 84623806
3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one
CID 14435077
3-(3-oxobutyl)-2,3-dihydrochromen-4-one
CID 23465810
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
(6aS,9S)-12-oxo-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazepine-9-carboxylic acid
CID 86691954
S-ethyl 2-(4-oxo-2,3-dihydrochromen-3-yl)ethanethioate
CID 135006550

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydrochromene-3-carboxylic acid?
The IUPAC name of 4-oxo-2,3-dihydrochromene-3-carboxylic acid (CID 68674763) is 4-oxo-2,3-dihydrochromene-3-carboxylic acid.
What is the SMILES notation for 4-oxo-2,3-dihydrochromene-3-carboxylic acid?
The canonical SMILES for 4-oxo-2,3-dihydrochromene-3-carboxylic acid is O=C(O)C1COc2ccccc2C1=O.
What is the InChIKey of 4-oxo-2,3-dihydrochromene-3-carboxylic acid?
The InChIKey is AOOCVVJRKRIDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-4,7H,5H2,(H,12,13).
What are the key properties of 4-oxo-2,3-dihydrochromene-3-carboxylic acid?
4-oxo-2,3-dihydrochromene-3-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3-dihydrochromene-3-carboxylic acid is sourced from PubChem (CID 68674763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).