2-[2-(3-Methoxyphenyl)prop-2-enoyl]benzoic acid
Basic information
- CAS
66802-35-5- Standard SMILES
C=C(C(=O)c1ccccc1C(=O)O)c1cccc(OC)c1- InChIKey
QXRQWWAVCKDFJN-UHFFFAOYSA-N- Molecular formula
- C17H14O4
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.08920892
Names & identifiers
- Preferred name
- 2-[2-(3-Methoxyphenyl)prop-2-enoyl]benzoic acid
- IUPAC
- 2-[2-(3-methoxyphenyl)prop-2-enoyl]benzoic acid
Names & synonyms
66802-35-52-[2-(3-methoxyphenyl)prop-2-enoyl]benzoic acidNSC276326DTXSID30313731NSC-276326DS-007152BENZOIC ACID,2-[2-(3-METHOXYPHENYL)-1-OXO-2-PROPEN-1-YL]-
Database identifiers
- CAS
66802-35-5- PubChem CID
- 321859
- DTXSID
DTXSID30313731
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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