4-Stilbenecarboxylic acid

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CAS Number

7329-77-3

Smiles

C (=Cc1ccccc1) c1ccc (C (=O) O) cc1

Chemical Information

4-(2-phenylethenyl)benzoic Acid

CAS Number	7329-77-3
PubChem CID	6288029
IUPAC Name	4-[(E)-2-phenylethenyl]benzoic acid
Molecular Formula	C15H12O2
Molecular Weight	224.25
XLogP	4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	269

SMILES

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H12O2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,(H,16,17)/b7-6+

InChIKey

IAGXTPCOGVFRSQ-VOTSOKGWSA-N

Chemical Structure

2D Structure

CAS: 7329-77-3

CID: 6288029

Formula: C15H12O2

MW: 224.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.25
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	224.083729621
Monoisotopic Mass	224.083729621
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	269
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1011322-01	4,4-Stilbenedicarboxylic Acid
PC3392-01	4,4,4-Trifluorocrotonic acid
OR73423-01	4,4',4''-Nitrilotribenzoic acid
OR0757	4,4,4-Trichlorobutyric acid
OR1078760-01	4,4'-Isopropylidenediphenoxyacetic Acid
OR1030844-01	4,4’-Disulfanediyldibutanoic Acid
PC102838-01	4,4-Difluorobutanoic acid
PC101515	4,4-Difluoropentanoic acid
OR1011313-01	4,4'-Dithiobisbenzoic Acid
PC107492	4,4-Difluorobutenoic acid

Catalog	Name
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)
MBS6028591-01	4-Mercaptophenylbutyric Acid (4-(4-Mercaptophenyl)butyric Acid)
sc-277680	4,4,4-Trichlorobutyric acid
108847-20-8-01	Dibenzothiophene-4-boronic acid; 4-DIBENZOTHIENYLBORONIC ACID
sc-262191	4,4,4-Trifluorobutyric acid
FD54832-01	4,4'-Dibenzoic acid
FD22559-01	4,4'-Dithiobisbenzoic acid
433558-01	4,4'-Biphenyldiboronic acid
009528	4,4-Difluorocyclohexanecarboxylic Acid
TRC-D494315-2.5G	4,4'-Dithiobisphenylbutyric Acid