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CAS No.: | 85153-65-7 |
---|---|
Name: | methyl 3-ethoxy-2-butenoate |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H12O3 |
Molecular Weight: | 144.17 |
Synonyms: | 3-Ethoxy-2-butenoic acid methyl ester; |
EINECS: | 285-848-1 |
Density: | 0.978 g/cm3 |
Boiling Point: | 188.6 °C at 760 mmHg |
Flash Point: | 69.3 °C |
PSA: | 35.53000 |
LogP: | 1.09970 |
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The 2-Butenoic acid, 3-ethoxy-, methyl ester, with the CAS registry number 85153-65-7, is also known as 3-Ethoxy-2-butenoic acid methyl ester. Its EINECS registry number is 285-848-1. This chemical's molecular formula is C7H12O3 and molecular weight is 144.16838. What's more, its systematic name is Methyl 3-ethoxybut-2-enoate.
Physical properties about 2-Butenoic acid, 3-ethoxy-, methyl ester are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.07; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 35.53 Å2; (9)Index of Refraction: 1.427; (10)Molar Refractivity: 37.89 cm3; (11)Molar Volume: 147.3 cm3; (12)Polarizability: 15.02×10-24 cm3; (13)Surface Tension: 27.8 dyne/cm; (14)Density: 0.978 g/cm3; (15)Flash Point: 69.3 °C; (16)Enthalpy of Vaporization: 42.48 kJ/mol; (17)Boiling Point: 188.6 °C at 760 mmHg; (18)Vapour Pressure: 0.595 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)C=C(C)OCC
(2) InChI: InChI=1/C7H12O3/c1-4-10-6(2)5-7(8)9-3/h5H,4H2,1-3H3
(3) InChIKey: ORXGGVRQTQZUJW-UHFFFAOYAK