alpha,beta-Diphenyl acrylic acid

HCID 66677

Notes Reactions

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Basic information

CAS: 3368-16-9
Standard SMILES: O=C(O)C(=Cc1ccccc1)c1ccccc1
InChIKey: BIDDLDNGQCUOJQ-UHFFFAOYSA-N
Molecular formula: C15H12O2
Average molar mass: 224.25 g/mol
Monoisotopic mass: 224.08372962

Names & identifiers

Preferred name: alpha,beta-Diphenyl acrylic acid
IUPAC: 2,3-diphenylprop-2-enoic acid

Names & synonyms

2,3-diphenyl-acrylic acidNCIStruc1_000625NCIStruc2_000460NCIOpen2_004786SCHEMBL392752,3-Diphenyl-2-propenoic acidalpha,beta-Diphenyl acrylic acidSCHEMBL11848822SCHEMBL27999897BIDDLDNGQCUOJQ-UHFFFAOYSA-NDTXSID801018987AKOS030243021

Show more names

NCI60_003851DB-057257DS-017183Benzeneacetic acid, a-(phenylmethylene)-, (az)-

Database identifiers

CAS: 3368-16-9
PubChem CID: 66677
DTXSID: DTXSID801018987

Properties

Computed structural propertiesFilling in

XLogP: 3.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 281

Related reactions

6 records

New reaction record

HRID 168954As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 304437As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 359149As reactantuspto-grants-1991_03

HRID 1935739As reactantuspto-grants-2002_05

HRID 2358425As productuspto-grants-2010_07

HRID 2358426As reactantuspto-grants-2010_07

Compound notes

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