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16002-19-0

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Basic Information
CAS No.: 16002-19-0
Name: methylmalondialdehyde
Article Data: 7
Molecular Structure:
Molecular Structure of 16002-19-0 (methylmalondialdehyde)
Formula: C4H6O2
Molecular Weight: 86.0904
Synonyms: Malonaldehyde,methyl- (6CI,7CI,8CI);Propanedial, methyl- (9CI);Methylmalonaldehyde;Methylmalondialdehyde;NSC 162796;
Density: 0.961 g/cm3
Boiling Point: 112.5 °C at 760 mmHg
Flash Point: 30.9 °C
PSA: 34.14000
LogP: 0.02030
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Specification

The Propanedial, 2-methyl-, with the CAS registry number 16002-19-0, is also known as Propanedial, methyl-. This chemical's molecular formula is C4H6O2 and molecular weight is 86.0892. Its systematic name is called methylpropanedial.

Physical properties of Propanedial, 2-methyl-: (1)ACD/LogP: -0.04; (2)ACD/LogD (pH 5.5): -0.32; (3)ACD/LogD (pH 7.4): -1.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.85; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.383; (11)Molar Refractivity: 20.91 cm3; (12)Molar Volume: 89.5 cm3; (13)Surface Tension: 28.2 dyne/cm; (14)Density: 0.961 g/cm3; (15)Flash Point: 30.9 °C; (16)Enthalpy of Vaporization: 35.1 kJ/mol; (17)Boiling Point: 112.5 °C at 760 mmHg; (18)Vapour Pressure: 21.7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(C=O)C
(2)InChI: InChI=1/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3
(3)InChIKey: VXYSFSCCSQAYJV-UHFFFAOYAG