(E)-2-Cyano-3-(4-methylphenyl)prop-2-enoate supplier

Name
2-CYANO-3-(4-METHYLPHENYL)ACRYLIC ACID
EINECS
CAS No. 20374-48-5
Article Data4
CAS DataBase
Density 1.239±0.06 g/cm3(Predicted)
Solubility
Melting Point 199-202
Formula C₁₁H₈NO₂
Boiling Point 352.5 °C at 760 mmHg
Molecular Weight 187.198
Flash Point 167 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi,T
Synonyms (2E)-2-cyano-3-(4-methylphenyl)prop-2-enoate;
PSA 61.09000
LogP 1.98658

(E)-2-Cyano-3-(4-methylphenyl)prop-2-enoate Specification

The (E)-2-Cyano-3-(4-methylphenyl)prop-2-enoate, with the CAS registry number 20374-48-5, is also known as (2E)-2-cyano-3-(4-methylphenyl)prop-2-enoate. This chemical's molecular formula is C₁₁H₈NO₂ and molecular weight is 186.1873. What's more, its IUPAC name is called (E)-2-Cyano-3-(4-methylphenyl)prop-2-enoate.

Physical properties about (E)-2-Cyano-3-(4-methylphenyl)prop-2-enoate are: (1) ACD/LogP: 2.52; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.15; (4) ACD/LogD (pH 7.4): -1.22; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 61.09 Å²; (13) Flash Point: 167 °C; (14) Enthalpy of Vaporization: 63.03 kJ/mol; (15) Boiling Point: 352.5 °C at 760 mmHg; (16) Vapour Pressure: 1.42E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]C(=O)C(/C#N)=C/c1ccc(cc1)C
(2) InChI: InChI=1/C11H9NO2/c1-8-2-4-9(5-3-8)6-10(7-12)11(13)14/h2-6H,1H3,(H,13,14)/p-1/b10-6+
(3) InChIKey: VSMAAVBAABUVMQ-BORUIIDFBL

Product Name

2-CYANO-3-(4-METHYLPHENYL)ACRYLIC ACID

(E)-2-Cyano-3-(4-methylphenyl)prop-2-enoate Specification

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