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22329-72-2

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Basic Information
CAS No.: 22329-72-2
Name: (S)-2,4-DIHYDROXYBUTYRIC ACID
Molecular Structure:
Molecular Structure of 22329-72-2 ((S)-2,4-DIHYDROXYBUTYRIC ACID)
Formula: C4H8O4
Molecular Weight: 120.1
Synonyms: Butyricacid, 2,4-dihydroxy- (7CI,8CI);
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- is an organic compound with the formula C4H8O4. The systematic name of this chemical is 2,4-dihydroxybutanoic acid. With the CAS registry number 22329-72-2, it is also named as 3-Deoxytetronic acid. The product's categories are Carbonic Acid; Chiral Compounds.

Physical properties about Butanoic acid,2,4-dihydroxy- are: (1)ACD/LogP: -1.02; (2)ACD/LogD (pH 5.5): -3.29; (3)ACD/LogD (pH 7.4): -4.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 44.76 Å2; (12)Index of Refraction: 1.507; (13)Molar Refractivity: 25.17 cm3; (14)Molar Volume: 84.5 cm3; (15)Polarizability: 9.97×10-24cm3; (16)Surface Tension: 69.1 dyne/cm; (17)Density: 1.42 g/cm3; (18)Flash Point: 217.1 °C; (19)Enthalpy of Vaporization: 76.78 kJ/mol; (20)Boiling Point: 412 °C at 760 mmHg; (21)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(O)CCO
(2)InChI: InChI=1/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
(3)InChIKey: UFYGCFHQAXXBCF-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
(5)Std. InChIKey: UFYGCFHQAXXBCF-UHFFFAOYSA-N