The CAS register number of Propylmalonic acid is 14636-95-4. It also can be called as Alpha-propylmalonic acid and the systematic name about this chemical is propylpropanedioic acid. The molecular formula about this chemical is C6H10O4 and the molecular weight is 146.14.
Physical properties about Propylmalonic acid are: (1)ACD/LogP: 0.85; (2)ACD/LogD (pH 5.5): -1.49; (3)ACD/LogD (pH 7.4): -3.77; (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: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 52.6 Å2; (12)Index of Refraction: 1.473; (13)Molar Refractivity: 32.93 cm3; (14)Molar Volume: 117.2 cm3; (15)Polarizability: 13.05x10-24cm3; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.246 g/cm3; (18)Flash Point: 165 °C; (19)Enthalpy of Vaporization: 62.43 kJ/mol; (20)Boiling Point: 325.8 °C at 760 mmHg; (21)Vapour Pressure: 4.54E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C(=O)O)CCC
(2)InChI: InChI=1/C6H10O4/c1-2-3-4(5(7)8)6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
(3)InChIKey: VQDJODAWOFNASI-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H10O4/c1-2-3-4(5(7)8)6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
(5)Std. InChIKey: VQDJODAWOFNASI-UHFFFAOYSA-N
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