4-Ethylcinnamic acid

CAT: 0127-OR14482-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR14482-01Size:250 mg

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CAS Number

28784-98-7

MDL Number

MFCD02244465

Purity

97%

Smiles

CCc1ccc(\C=C\C(=O)O)cc1

Chemical Information

4-Ethylcinnamic acid

CAS Number	28784-98-7
PubChem CID	1482753
IUPAC Name	(E)-3-(4-ethylphenyl)prop-2-enoic acid
Molecular Formula	C11H12O2
Molecular Weight	176.21
XLogP	2.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	188

SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C11H12O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b8-7+

InChIKey

GOIIVCHICYNWSG-BQYQJAHWSA-N

Chemical Structure

2D Structure

CAS: 28784-98-7

CID: 1482753

Formula: C11H12O2

MW: 176.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.21
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	176.083729621
Monoisotopic Mass	176.083729621
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	188
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
PC3392-01	4,4,4-Trifluorocrotonic acid
OR73423-01	4,4',4''-Nitrilotribenzoic acid
OR0757	4,4,4-Trichlorobutyric acid
PC7292-01	4,4,4-Trifluorobutanoic acid
OR1030844-01	4,4’-Disulfanediyldibutanoic Acid
OR1078760-01	4,4'-Isopropylidenediphenoxyacetic Acid
PC101515	4,4-Difluoropentanoic acid
OR1011313-01	4,4'-Dithiobisbenzoic Acid
PC102838-01	4,4-Difluorobutanoic acid
PC107492	4,4-Difluorobutenoic acid

Catalog	Name
432204-01	4-Ethylcinnamic acid
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