6-chloro-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxylic acid

HCID 21392596
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Basic information

Standard SMILES
Cc1cc2oc(C(=O)O)cc(=O)c2c(C)c1Cl
InChIKey
JWQQHYYWMLSBHH-UHFFFAOYSA-N
Molecular formula
C12H9ClO4
Average molar mass
252.65 g/mol

Names & identifiers

Preferred name
6-chloro-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxylic acid
IUPAC
6-chloro-5,7-dimethyl-4-oxochromene-2-carboxylic acid

Names & synonyms

JWQQHYYWMLSBHH-UHFFFAOYSA-N6-chloro-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxylic acid

Database identifiers

PubChem CID
21392596

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17

Related reactions

6 records
New reaction record

Linked notes

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