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62445-25-4

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Basic Information
CAS No.: 62445-25-4
Name: (S)-2,4-DIHYDROXYBUTYRIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 62445-25-4 ((S)-2,4-DIHYDROXYBUTYRIC ACID)
Formula: C4H8O4
Molecular Weight: 120.105
Synonyms: 3-Deoxy-L-glycero-tetronic acid;(2S)-2,4-Dihydroxybutanoic acid;
Density: 1.42 g/cm3
Boiling Point: 412 °C at 760 mmHg
Flash Point: 217.1 °C
PSA: 77.76000
LogP: -1.18570
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Specification

The Butanoic acid,2,4-dihydroxy-,(2S)-, with the CAS registry number of 62445-25-4, is also known as 3-Deoxy-L-glycero-tetronic acid. The molecular formula of this chemical is C4H8O4 and its molecular weight is 120.1. What's more, its systematic name is (2S)-2,4-Dihydroxybutanoic acid.

Physical properties about Butanoic acid,2,4-dihydroxy-,(2S)- are: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -4.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 25.17 cm3; (15)Molar Volume: 84.5 cm3; (16)Polarizability: 9.97×10-24 cm3; (17)Surface Tension: 69.1 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 217.1 °C; (20)Enthalpy of Vaporization: 76.78 kJ/mol; (21)Boiling Point: 412 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](O)CCO
(2) InChI: InChI=1/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)/t3-/m0/s1
(3) InChIKey: UFYGCFHQAXXBCF-VKHMYHEABK