Basic information
- CAS
51751-37-2- Standard SMILES
Cc1oc2ccccc2c(=O)c1C(=O)O- InChIKey
VXMFTSYQYYLWTN-UHFFFAOYSA-N- Molecular formula
- C11H8O4
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.04225873
Names & identifiers
- Preferred name
- 2-Methyl-4-oxo-4H-1-benzopyran-3-carboxylic acid
- IUPAC
- 2-methyl-4-oxochromene-3-carboxylic acid
Names & synonyms
2-Methyl-4-oxo-4H-1-benzopyran-3-carboxylic acid51751-37-2DTXSID20318437RefChem:263433DTXCID10269560NSC330862SCHEMBL9760981VXMFTSYQYYLWTN-UHFFFAOYSA-N2-methylchromone-3-carboxylic acidNSC-3308622-Methyl-4-oxo-chromene-3-carboxylic acidDS-004247
Database identifiers
- CAS
51751-37-2- PubChem CID
- 332659
- DTXSID
DTXSID20318437- Nikkaji
- J1.114.888C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 342
Related reactions
2 records
Compound notes
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