Basic information
- Name:
(S)-Methyl 2,3-dihydroxypropanoate
- CAS No.:
10303-88-5
- Molecular Structure:
- Formula:
- C4H8O4
- Molecular Weight:
- 120.103
- Density:
- 1.285 g/cm3
- Boiling Point:
- 241.499 °C at 760 mmHg
- Flash Point:
- 103.748 °C
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Specification
The (S)-Methyl 2,3-dihydroxypropanoate is an organic compound with the formula C4H8O4. The systematic name of this chemical is methyl (2S)-2,3-dihydroxypropanoate. With the CAS registry number 10303-88-5, it is also named as propanoic acid, 2,3-dihydroxy-, methyl ester, (2S)-.
Physical properties about (S)-Methyl 2,3-dihydroxypropanoate are: (1)ACD/LogP: -1.37; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2; (7)ACD/KOC (pH 7.4): 2; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 66.76 Å2; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 25.384 cm3; (14)Molar Volume: 93.433 cm3; (15)Polarizability: 10.063×10-24cm3; (16)Surface Tension: 48.738 dyne/cm; (17)Density: 1.285 g/cm3; (18)Flash Point: 103.748 °C; (19)Enthalpy of Vaporization: 55.602 kJ/mol; (20)Boiling Point: 241.499 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)[C@@H](O)CO
(2)InChI: InChI=1/C4H8O4/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3/t3-/m0/s1
(3)InChIKey: COFCNNXZXGCREM-VKHMYHEABC
(4)Std. InChI: InChI=1S/C4H8O4/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3/t3-/m0/s1
(5)Std. InChIKey: COFCNNXZXGCREM-VKHMYHEASA-N
