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Cas Database |
| Name |
2-Propenenitrile,3-(3,4-dimethoxyphenyl)-, (2E)- |
EINECS | 253-573-6 |
| CAS No. | 37629-85-9 | Density | 1.101 g/cm3 |
| PSA | 42.25000 | LogP | 2.24058 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H11NO2 | Boiling Point | 339.2 °C at 760 mmHg |
| Molecular Weight | 189.214 | Flash Point | 134.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Propenenitrile,3-(3,4-dimethoxyphenyl)-, (E)-;3,4-Dimethoxy-trans-cinnamonitrile;(2E)-3-(3,4-Dimethoxyphenyl)prop-2-enenitrile;(2E)-3-(3,4-Dimethoxyphenyl)acrylonitrile; |
Article Data | 11 |
2-Propenenitrile,3-(3,4-dimethoxyphenyl)-, (2E)- Specification
The 2-Propenenitrile,3-(3,4-dimethoxyphenyl)-, (2E)-, with the CAS registry number 37629-85-9, is also known as 3,4-Dimethoxy-trans-cinnamonitrile. Its EINECS number is 253-573-6. This chemical's molecular formula is C11H11NO2 and molecular weight is 189.21. What's more, its systematic name is (2E)-3-(3,4-Dimethoxyphenyl)prop-2-enenitrile.
Physical properties of 2-Propenenitrile,3-(3,4-dimethoxyphenyl)-, (2E)- are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.32; (6)ACD/BCF (pH 7.4): 25.32; (7)ACD/KOC (pH 5.5): 351.7; (8)ACD/KOC (pH 7.4): 351.7; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.25 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 55.41 cm3; (15)Molar Volume: 171.7 cm3; (16)Polarizability: 21.96×10-24 cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.101 g/cm3; (19)Flash Point: 134.3 °C; (20)Enthalpy of Vaporization: 58.27 kJ/mol; (21)Boiling Point: 339.2 °C at 760 mmHg; (22)Vapour Pressure: 9.32E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C=C\c1cc(OC)c(OC)cc1
(2)InChI: InChI=1S/C11H11NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-6,8H,1-2H3/b4-3+
(3)InChIKey: WGPTVEZJYRFEGT-ONEGZZNKSA-N
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