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CAS No.: | 57965-40-9 |
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Name: | Benzoic acid, 4-[(2-oxopropylidene)hydrazino]- (9CI) |
Molecular Structure: | |
Formula: | C10H10N2O3 |
Molecular Weight: | 206.198 |
Synonyms: | 4-[2-(2-Oxopropylidene)hydrazinyl]benzoic acid; |
Density: | 1.24 g/cm3 |
Boiling Point: | 385.7 °C at 760 mmHg |
Flash Point: | 187.1 °C |
PSA: | 78.76000 |
LogP: | 1.44450 |
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The Benzoic acid, 4-[(2-oxopropylidene)hydrazino]- (9CI), with the CAS registry number of 57965-40-9, belongs to the product category of Aminoacid. This chemical's molecular formula is C10H10N2O3 and molecular weight is 206.198. What's more, its IUPAC name is 4-[2-(2-Oxopropylidene)hydrazinyl]benzoic acid.
Physical properties about Benzoic acid, 4-[(2-oxopropylidene)hydrazino]- (9CI) are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 58.97 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 54.55 cm3; (9)Molar Volume: 165.4 cm3; (10)Surface Tension: 47.5 dyne/cm; (11)Density: 1.24 g/cm3; (12)Flash Point: 187.1 °C; (13)Enthalpy of Vaporization: 66.93 kJ/mol; (14)Boiling Point: 385.7 °C at 760 mmHg; (15)Vapour Pressure: 1.22E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(NN=CC(=O)C)cc1
(2) InChI: InChI=1/C10H10N2O3/c1-7(13)6-11-12-9-4-2-8(3-5-9)10(14)15/h2-6,12H,1H3,(H,14,15)
(3) InChIKey: TYXALHOQPPWMCT-UHFFFAOYAE