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| CAS No.: | 1518-61-2 |
|---|---|
| Name: | 3,4-dihydroxybutanoic acid |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C15H14O3 |
| Molecular Weight: | 120.105 |
| Synonyms: | Butyricacid, 3,4-dihydroxy- (7CI,8CI);2-Deoxytetronic acid;3,4-Dihydroxybutanoicacid;3,4-Dihydroxybutyric acid;2-Deoxytetronic acid;Butanoic acid, 3,4-dihydroxy-; |
| Density: | 1.42 g/cm3 |
| Boiling Point: | 408.9 °C at 760 mmHg |
| Flash Point: | 215.3 °C |
| PSA: | 77.76000 |
| LogP: | -1.18570 |
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- Total:18 Page 1 of 1 1
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Specification
The Butanoic acid,3,4-dihydroxy-, with the CAS registry number 1518-61-2, has the systematic name of 3,4-dihydroxybutanoic acid. It is also called 2-Deoxytetronic acid. And the molecular formula of this chemical is C15H14O3. What's more, it is an endogenous sugar acid from serum of fasted rates acting as satiety factor in rats.
The physical properties of Butanoic acid,3,4-dihydroxy- are as following: (1)ACD/LogP: -2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.46; (4)ACD/LogD (pH 7.4): -5.22; (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: 9.97×10-24cm3; (17)Surface Tension: 69.1 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 215.3 °C; (20)Enthalpy of Vaporization: 76.38 kJ/mol; (21)Boiling Point: 408.9 °C at 760 mmHg; (22)Vapour Pressure: 2.15E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(O)CO
(2)InChI: InChI=1/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8)
(3)InChIKey: DZAIOXUZHHTJKN-UHFFFAOYAI