2-Propenoic acid, 3-(3-(3-(4-chlorophenyl)-1-oxo-2-propenyl)phenyl)-, (E,E)-
Basic information
- CAS
82885-69-6- Standard SMILES
O=C(O)/C=C/c1cccc(C(=O)/C=C/c2ccc(Cl)cc2)c1- InChIKey
AZKCOFASXHCXJZ-JMQWPVDRSA-N- Molecular formula
- C18H13ClO3
- Average molar mass
- 312.7 g/mol
- Monoisotopic mass
- 312.055322
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-(3-(3-(4-chlorophenyl)-1-oxo-2-propenyl)phenyl)-, (E,E)-
- IUPAC
- (E)-3-[3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]prop-2-enoic acid
- English name
- 2-Propenoic acid, 3-(3-(3-(4-chlorophenyl)-1-oxo-2-propenyl)phenyl)-, (E,E)-
- Molecular formula
- C18H13ClO3
- Molecular weight
- 312.75
Names & synonyms
82885-69-62-Propenoic acid, 3-(3-(3-(4-chlorophenyl)-1-oxo-2-propenyl)phenyl)-, (E,E)-RefChem:1064549(E,E)-3-(3-(3-(4-Chlorophenyl)-1-oxo-2-propenyl)phenyl)-2-propenoic acidSCHEMBL111850942-Propenoic acid, 3-[3-[3-(4-chlorophenyl)-1-oxo-2-propenyl]phenyl]-, (E,E)- (9CI)
Database identifiers
- CAS
82885-69-6- PubChem CID
- 6448151
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
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Compound notes
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