Basic information
- CAS
89781-92-0- Standard SMILES
O=C(O)C=Cc1ccc2c(c1)C=C(n1ccnc1)CO2- InChIKey
CEHDFUSNZLYWHF-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.08479225
Names & identifiers
- Preferred name
- 3-[3-(1H-Imidazol-1-yl)-2H-1-benzopyran-6-yl]prop-2-enoic acid
- IUPAC
- 3-(3-imidazol-1-yl-2H-chromen-6-yl)prop-2-enoic acid
Names & synonyms
89781-92-0SCHEMBL10897228DTXSID807061543-[3-(1H-Imidazol-1-yl)-2H-1-benzopyran-6-yl]prop-2-enoic acid
Database identifiers
- CAS
89781-92-0- PubChem CID
- 53716618
- DTXSID
DTXSID80706154
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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