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CAS No.: | 3913-65-3 |
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Name: | 2-hydroxypropanal |
Article Data: | 67 |
Molecular Structure: | |
Formula: | C3H6O2 |
Molecular Weight: | 74.0794 |
Synonyms: | α-Hydroxypropionaldehyde;Lactaldehyde; |
Density: | 1.011 g/cm3 |
Boiling Point: | 121.9 °C at 760 mmHg |
Flash Point: | 36.8 °C |
PSA: | 37.30000 |
LogP: | -0.43390 |
The CAS registry number of Propanal, 2-hydroxy-, (±)- is 3913-65-3. The IUPAC name is 2-hydroxypropanal. In addition, the molecular formula is C3H6O2 and the molecular weight is 74.08. What's more, it is an intermediate in the methylglyoxal metabolic pathway. And it is oxidized to lactic acid by aldehyde dehydrogenase. Besides, it exists in open-chain, solution and crystal forms.
Physical properties about Propanal, 2-hydroxy-, (±)- are: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.6; (4)ACD/LogD (pH 7.4): -0.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.17; (8)ACD/KOC (pH 7.4): 11.17; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.396; (14)Molar Refractivity: 17.62 cm3; (15)Molar Volume: 73.2 cm3; (16)Polarizability: 6.98 ×10-24cm3; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 1.011 g/cm3; (19)Flash Point: 36.8 °C; (20)Enthalpy of Vaporization: 41.95 kJ/mol; (21)Boiling Point: 121.9 °C at 760 mmHg; (22)Vapour Pressure: 6.82 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(O)C
(2)InChI: InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3
(3)InChIKey: BSABBBMNWQWLLU-UHFFFAOYSA-N