(E) -2-Methyl-3-Phenylacrylic Acid

CAT: 0127-OR1023405-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1023405-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1895-97-2

Synonyms

(E) -2-methyl-3-phenylprop-2-enoic acid

Purity

98%

Smiles

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

Chemical Information

alpha-Methylcinnamic acid

inhibits type 5 17beta-HSD; structure in first source

CAS Number	1895-97-2
PubChem CID	637817
IUPAC Name	(E)-2-methyl-3-phenylprop-2-enoic acid
Molecular Formula	C10H10O2
Molecular Weight	162.18
XLogP	2.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	188

SMILES

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

InChI

InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+

InChIKey

XNCRUNXWPDJHGV-BQYQJAHWSA-N

Chemical Structure

2D Structure

CAS: 1895-97-2

CID: 637817

Formula: C10H10O2

MW: 162.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.18
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	162.068079557
Monoisotopic Mass	162.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
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
PC3729	2-Fluoro-3-phenylacrylic acid
OR13658-01	2-Phenylacrylic acid
OR346543-01	2-Hydroxy-3-phenylacrylic acid
OR1102762-01	(Z) -3-Phenylacrylic acid
PC8812	(2Z) -2-Fluoro-3-phenylacrylic acid
OR26299	3-Bromo-3-phenylacrylic acid
OR346254-01	(E) -3-Bromo-2-methyl-acrylic acid methyl ester
BUP19293	(E) -2-Methyl-2-pentenoic acid
OR927974-01	(E) -3-Methoxy-2-butenoic acid methyl ester
OR97228-01	(E) -2-Methyl-3-phenylacrylaldehyde

Catalog	Name
RG-M050874-01	2-Methyl-3-Phenylacrylic Acid
sc-356524A	2-Phenylacrylic acid
sc-298046	2- (2-Methoxyphenyl) -3-phenylacrylic acid
sc-298732	3- (2-Methoxyphenyl) -2-phenylacrylic acid
HY-76096R	2-Phenylacrylic acid (Standard)
PCA59080	(E) -2-Acetamido-3-phenylacrylic acid
sc-356677	3-Bromo-3-phenylacrylic acid
sc-343887A	(2Z) -2- (4-chlorophenyl) -3-phenylacrylic acid
sc-298872	3-[4- (Benzyloxy) phenyl]-2-phenylacrylic acid
FA74680-01	2-Acetyl-3-phenylacrylic acid ethyl ester