2-Butenoic acid, 2-cyano-3-ethoxy-, ethyl ester supplier

Name
ethyl 2-cyano-3-ethoxybut-2-enoate
EINECS
CAS No. 35260-93-6
Article Data28
CAS DataBase
Density 1.055 g/cm³
Solubility
Melting Point
Formula C₉H₁₃NO₃
Boiling Point 304.6 °C at 760 mmHg
Molecular Weight 183.207
Flash Point 132 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 2-cyano-3-ethoxy-but-2-enoate;
PSA
LogP

2-Butenoic acid, 2-cyano-3-ethoxy-, ethyl ester Specification

The 2-Butenoic acid, 2-cyano-3-ethoxy-, ethyl ester, with the CAS registry number 35260-93-6, is also known as Ethyl 2-cyano-3-ethoxy-but-2-enoate. This chemical's molecular formula is C₉H₁₃NO₃ and molecular weight is 183.2044. What's more, its systematic name is Ethyl 2-cyano-3-ethoxybut-2-enoate.

Physical properties about 2-Butenoic acid, 2-cyano-3-ethoxy-, ethyl ester are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.27; (6)ACD/BCF (pH 7.4): 5.27; (7)ACD/KOC (pH 5.5): 114.32; (8)ACD/KOC (pH 7.4): 114.32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 59.32 Å²; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 46.92 cm³; (15)Molar Volume: 173.5 cm³; (16)Polarizability: 18.6×10^-24 cm³; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.055 g/cm³; (19)Flash Point: 132 °C; (20)Enthalpy of Vaporization: 54.5 kJ/mol; (21)Boiling Point: 304.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000863 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C(C#N)=C(OCC)C
(2) InChI: InChI=1/C9H13NO3/c1-4-12-7(3)8(6-10)9(11)13-5-2/h4-5H2,1-3H3
(3) InChIKey: YKXFOGAYPIPTKF-UHFFFAOYAL

Product Name

ethyl 2-cyano-3-ethoxybut-2-enoate

2-Butenoic acid, 2-cyano-3-ethoxy-, ethyl ester Specification

Related Products

Hot Products