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38157-71-0

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Basic Information
CAS No.: 38157-71-0
Name: (E)-3-CYANO-3-(METHYLIMINO)-2-OXOPROPANOIC ACID
Molecular Structure:
Molecular Structure of 38157-71-0 ((E)-3-CYANO-3-(METHYLIMINO)-2-OXOPROPANOIC ACID)
Formula: C3H2N2O3
Molecular Weight: 114.06
Synonyms: (3E)-3-cyano-3-(methylimino)-2-oxopropanoic acid;propanoic acid, 3-cyano-3-(methylimino)-2-oxo-, (3E)-
Density: 1.33 g/cm3
Boiling Point: 300.2 °C at 760 mmHg
Flash Point: 135.4 °C
PSA: 90.52000
LogP: -0.76552
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Specification

The cas register number of (E)-3-Cyano-3-(methylimino)-2-oxopropanoic acid is 38157-71-0. It also can be called as propanoic acid, 3-cyano-3-(methylimino)-2-oxo-, (3E)- and the Systematic name about this chemical is (3E)-3-cyano-3-methylimino-2-oxo-propanoic acid.

Physical properties about (E)-3-Cyano-3-(methylimino)-2-oxopropanoic acid are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 90.52Å2; (6)Index of Refraction: 1.537; (7)Molar Refractivity: 32.92 cm3; (8)Molar Volume: 105.3 cm3; (9)Surface Tension: 52.6 dyne/cm; (10)Density: 1.33 g/cm3; (11)Flash Point: 135.4 °C; (12)Enthalpy of Vaporization: 59.43 kJ/mol; (13)Boiling Point: 300.2 °C at 760 mmHg; (14)Vapour Pressure: 0.000267 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: CN=C(C#N)C(=O)C(=O)O
2.InChI: InChI=1/C5H4N2O3/c1-7-3(2-6)4(8)5(9)10/h1H3,(H,9,10)/b7-3+ 
3.InChIKey: BGFLTQNMGBKJTQ-XVNBXDOJBT
4.Std. InChI: InChI=1S/C5H4N2O3/c1-7-3(2-6)4(8)5(9)10/h1H3,(H,9,10)/b7-3+