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CAS No.: | 925-57-5 |
---|---|
Name: | 4-Hydroxybutanoic acid methyl ester |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C5H10O3 |
Molecular Weight: | 118.133 |
Synonyms: | Methyl 4-hydroxybutanoate; |
Density: | 1.054 g/cm3 |
Boiling Point: | 190.872 °C at 760 mmHg |
Flash Point: | 77.376 °C |
PSA: | 46.53000 |
LogP: | -0.06810 |
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The Butanoic acid, 4-hydroxy-, methyl ester, with the CAS registry number 925-57-5, is also known as 4-Hydroxybutanoic acid methyl ester. This chemical's molecular formula is C5H10O3 and molecular weight is 118.13. What's more, its systematic name is called Methyl 4-hydroxybutanoate.
Physical properties about Butanoic acid, 4-hydroxy-, methyl ester are: (1)ACD/LogP: -0.234; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 17.77; (8)ACD/KOC (pH 7.4): 17.77; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12) Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 28.523 cm3; (15)Molar Volume: 112.057 cm3; (16)Polarizability: 11.307×10-24cm3; (17)Surface Tension: 34.991 dyne/cm; (18)Density: 1.054 g/cm3;(19)Flash Point: 77.376 °C; (20)Enthalpy of Vaporization: 49.701 kJ/mol; (21)Boiling Point: 190.872 °C at 760 mmHg; (22)Vapour Pressure: 0.143 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)CCCO
(2) InChI: InChI=1S/C5H10O3/c1-8-5(7)3-2-4-6/h6H,2-4H2,1H3
(3) InChIKey: JUYVXCGKMCYNBN-UHFFFAOYSA-N