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5330-70-1

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Basic Information
CAS No.: 5330-70-1
Name: Pyruvate phenylhydrazone
Article Data: 13
Molecular Structure:
Molecular Structure of 5330-70-1 (Pyruvate phenylhydrazone)
Formula: C9H10N2O2
Molecular Weight: 178.191
Synonyms: Propanoic acid, 2-(phenylhydrazono)-;(2E)-2-(phenylhydrazinylidene)propanoic acid;
Density: 1.17 g/cm3
Boiling Point: 327 °C at 760 mmHg
Flash Point: 151.6 °C
PSA: 61.69000
LogP: 1.63200
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Specification

The Pyruvate phenylhydrazone, with CAS registry number 5330-70-1, has the systematic name of (2E)-2-(phenylhydrazono)propanoic acid. Besides this, it is also called propanoic acid, 2-(2-phenylhydrazinylidene)-, (2E)-. And the chemical formula of this chemical is C9H10N2O2.

Physical properties of Pyruvate phenylhydrazone: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.24; (4)ACD/LogD (pH 7.4): -2.51; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 41.9 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 49.09 cm3; (15)Molar Volume: 152 cm3; (16)Polarizability: 19.46×10-24cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 151.6 °C; (20)Enthalpy of Vaporization: 60.09 kJ/mol; (21)Boiling Point: 327 °C at 760 mmHg; (22)Vapour Pressure: 8.44E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)/C(=N/Nc1ccccc1)C
(2)InChI: InChI=1/C9H10N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h2-6,11H,1H3,(H,12,13)/b10-7+
(3)InChIKey: CSTSUTMIORLRIN-JXMROGBWBU
(4)Std. InChI: InChI=1S/C9H10N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h2-6,11H,1H3,(H,12,13)/b10-7+
(5)Std. InChIKey: CSTSUTMIORLRIN-JXMROGBWSA-N