Basic information
- CAS
61049-42-1- Standard SMILES
COC(=O)c1ccc(C=C2Oc3ccccc3C2=O)cc1- InChIKey
YLCDLTYEVOEKRA-UHFFFAOYSA-N- Molecular formula
- C17H12O4
- Average molar mass
- 280.27 g/mol
- Monoisotopic mass
- 280.07355886
Names & identifiers
- Preferred name
- Benzoic acid, 4-[(3-oxo-2(3H)-benzofuranylidene)methyl]-, methyl ester
- IUPAC
- methyl 4-[(3-oxo-1-benzofuran-2-ylidene)methyl]benzoate
Names & synonyms
61049-42-1Benzoic acid, 4-[(3-oxo-2(3H)-benzofuranylidene)methyl]-, methyl esterSCHEMBL11861138DTXSID00327446NCI60_019746
Database identifiers
- CAS
61049-42-1- PubChem CID
- 376291
- DTXSID
DTXSID00327446
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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