2H-1-Benzopyran-6-acetic acid, 3,4-dihydro-7-chloro-4-oxo-
Basic information
- CAS
72765-99-2- Standard SMILES
O=C(O)Cc1cc2c(cc1Cl)OCCC2=O- InChIKey
QQHDTMIMKMBBLH-UHFFFAOYSA-N- Molecular formula
- C11H9ClO4
- Average molar mass
- 240.64 g/mol
- Monoisotopic mass
- 240.0189365
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-6-acetic acid, 3,4-dihydro-7-chloro-4-oxo-
- IUPAC
- 2-(7-chloro-4-oxo-2,3-dihydrochromen-6-yl)acetic acid
Names & synonyms
2H-1-Benzopyran-6-acetic acid, 3,4-dihydro-7-chloro-4-oxo-3,4-Dihydro-7-chloro-4-oxo-2H-1-benzopyran-6-acetic acid72765-99-2DTXSID80223073RefChem:268350DTXCID80145564(7-Chloro-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)acetic acid
Database identifiers
- CAS
72765-99-2- PubChem CID
- 3055700
- DTXSID
DTXSID80223073
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
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Compound notes
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