CAS 7560-43-2 Methyl 3-(4-methylphenyl)-2-propenoate (HCID 589472)

Substructure search Find similar structures

Basic information

CAS: 7560-43-2
Standard SMILES: COC(=O)C=Cc1ccc(C)cc1
InChIKey: WLJBRXRCJNSDHT-UHFFFAOYSA-N
Molecular formula: C11H12O2
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.08372962

Names & identifiers

Preferred name: Methyl 3-(4-methylphenyl)-2-propenoate
IUPAC: methyl 3-(4-methylphenyl)prop-2-enoate
English name: Methyl 4-Methylcinnamate
Molecular formula: C11H12O2
Molecular weight: 176.21

Names & synonyms

7560-43-2methyl 3-(4-methylphenyl)-2-propenoateDTXSID001346182RefChem:1089385DTXCID6017748523-p-tolyl-acrylic acid methyl ester2-Propenoic acid, 3-(4-methylphenyl)-, methyl esterMFCD00460746trans-Methyl p-methylcinnamatemethyl 3-(4-methylphenyl)prop-2-enoate4-Methylcinnamic acid methyl esterOzagrel Impurity N2

Show more names

(Z)-OzagrelOzagrel impurity AOzagrel impurity ABCDEFGH(E/Z)-Methyl 3-(p-tolyl)acrylateMethyl 3-(4-methylphenyl)-2-propionate3-(paramethylphenyl)propyleneacidmethyl ester

SCHEMBL504081p-methylcinnamic acid methyl esterWLJBRXRCJNSDHT-UHFFFAOYSA-Nmethyl 3-(p-tolyl)prop-2-enoatep-methylcinnamic acid, methyl esterAKOS030228169SY051211M2825

Database identifiers

CAS: 7560-43-2
PubChem CID: 589472
DTXSID: DTXSID001346182

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 188

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 56 to · 56.0 to 60.0 °C
Boiling point: 165 °C/32mmHg · 165°C/32mmHg(lit.)
Density: 1.057 · 1.057±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
solubility: soluble in Methanol
form: powder to crystal
color: White to Almost white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
HS Code: 2916.39 · 2916.39.7900