Basic information
- CAS
87627-22-3- Standard SMILES
Cc1cc(=O)c2cccc(CC(=O)O)c2o1- InChIKey
CJPZVNVWVHMBRW-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- 2-(2-Methyl-4-oxochromen-8-yl)acetic acid
- IUPAC
- 2-(2-methyl-4-oxochromen-8-yl)acetic acid
Names & synonyms
87627-22-32-(2-methyl-4-oxochromen-8-yl)acetic acidNSC362083SCHEMBL9163251DTXSID10320620NSC-362083(2-Methyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid
Database identifiers
- CAS
87627-22-3- PubChem CID
- 338684
- DTXSID
DTXSID10320620
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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