Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Butenoic acid, 2-cyano-3-ethoxy-, ethyl ester |
EINECS | N/A |
CAS No. | 35260-93-6 | Density | 1.055 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H13NO3 | Boiling Point | 304.6 °C at 760 mmHg |
Molecular Weight | 183.207 | Flash Point | 132 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl 2-cyano-3-ethoxy-but-2-enoate; |
Article Data | 28 |
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