Product Name

  • Name

    methyl 2-cyano-3-ethoxyacrylate

  • EINECS 249-432-3
  • CAS No. 29096-99-9
  • Article Data13
  • CAS DataBase
  • Density 1.102 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H9NO3
  • Boiling Point 272.9 °C at 760 mmHg
  • Molecular Weight 155.153
  • Flash Point 116.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 29096-99-9 (methyl 2-cyano-3-ethoxyacrylate)
  • Hazard Symbols
  • Synonyms Acrylicacid, 2-cyano-3-ethoxy-, methyl ester (6CI,8CI);2-Cyano-3-ethoxy-2-propenoicacid methyl ester;Methyl 2-(ethoxymethylene)-2-cyanoacetate;Methyl2-cyano-3-ethoxyacrylate;Methyl cyano(ethoxymethylene)acetate;Methylcyano(ethoxymethylidene)acetate;Methyl ethoxymethylenecyanoacetate;NSC522188;NSC 617607;2-propenoic acid, 2-cyano-3-ethoxy-, methyl ester, (2E)-;Methyl (2E)-2-cyano-3-ethoxyacrylate;
  • PSA 59.32000
  • LogP 0.60338

2-Propenoic acid,2-cyano-3-ethoxy-, methyl ester Specification

The 2-Propenoic acid,2-cyano-3-ethoxy-, methyl ester, with the CAS registry number 29096-99-9 and EINECS registry number 249-432-3, has the systematic name and IUPAC name of methyl (2E)-2-cyano-3-ethoxyprop-2-enoate. And the molecular formula of the chemical is C7H9NO3.

The characteristics of 2-Propenoic acid,2-cyano-3-ethoxy-, methyl ester are as followings: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.42; (8)ACD/KOC (pH 7.4): 29.42; (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: 1.449; (14)Molar Refractivity: 37.81 cm3; (15)Molar Volume: 140.7 cm3; (16)Polarizability: 14.99×10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 116.9 °C; (20)Enthalpy of Vaporization: 51.12 kJ/mol; (21)Boiling Point: 272.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00591 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#C/C(=C\OCC)C(=O)OC
(2)InChI: InChI=1/C7H9NO3/c1-3-11-5-6(4-8)7(9)10-2/h5H,3H2,1-2H3/b6-5+
(3)InChIKey: FYXVHJJZGRTONS-AATRIKPKBD

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