Benzoic acid,3-cyano-4-ethoxy-, methyl ester supplier

Name
Benzoic acid, 3-cyano-4-ethoxy-, methyl ester (9CI)
EINECS
CAS No. 318528-53-9
Density 1.174 g/cm³
Solubility at 25 deg C (mg/L): 485.7
Melting Point
Formula C₁₁H₁₁NO₃
Boiling Point 351.319 °C at 760 mmHg
Molecular Weight 205.21
Flash Point 153.434 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-cyano-4-ethoxybenzoate;
PSA 59.32000
LogP 1.74358

Benzoic acid,3-cyano-4-ethoxy-, methyl ester Specification

The Benzoic acid,3-cyano-4-ethoxy-, methyl ester, with the CAS registry number 318528-53-9, belongs to the product category of Ethoxy. This chemical's molecular formula is C₁₁H₁₁NO₃ and molecular weight is 205.21. What's more, its systematic name is Methyl 3-cyano-4-ethoxybenzoate.

Physical properties of Benzoic acid,3-cyano-4-ethoxy-, methyl ester are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 69; (6)ACD/BCF (pH 7.4): 69; (7)ACD/KOC (pH 5.5): 718; (8)ACD/KOC (pH 7.4): 718; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.32 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 53.428 cm³; (15)Molar Volume: 174.865 cm³; (16)Polarizability: 21.181×10^-24cm³; (17)Surface Tension: 46.07 dyne/cm; (18)Density: 1.174 g/cm³; (19)Flash Point: 153.434 °C; (20)Enthalpy of Vaporization: 59.601 kJ/mol; (21)Boiling Point: 351.319 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1ccc(cc1C#N)C(=O)OC
(2)InChI: InChI=1S/C11H11NO3/c1-3-15-10-5-4-8(11(13)14-2)6-9(10)7-12/h4-6H,3H2,1-2H3
(3)InChIKey: QROOLSGRAPIRGK-UHFFFAOYSA-N

Product Name

Benzoic acid, 3-cyano-4-ethoxy-, methyl ester (9CI)

Benzoic acid,3-cyano-4-ethoxy-, methyl ester Specification

Related Products

Hot Products