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Hydrazinecarboxaldehyde, (1-phenylethylidene)- (9CI)

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Name

Hydrazinecarboxaldehyde, (1-phenylethylidene)- (9CI)

EINECS N/A
CAS No. 33036-39-4 Density 1.04 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C9H10N2O Boiling Point 266.948 °C at 760 mmHg
Molecular Weight 162.191 Flash Point 115.246 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 33036-39-4 (Hydrazinecarboxaldehyde, (1-phenylethylidene)- (9CI)) Hazard Symbols N/A
Synonyms

Formicacid, (alpha-methylbenzylidene)hydrazide(8CI);NSC 62816;

 

Hydrazinecarboxaldehyde, (1-phenylethylidene)- (9CI) Specification

The Hydrazinecarboxaldehyde, (1-phenylethylidene)- (9CI), with the CAS registry number 33036-39-4, is also known as Formicacid, (alpha-methylbenzylidene)hydrazide(8CI). This chemical's molecular formula is C9H10N2O and molecular weight is 576.11. What's more, its systematic name is N'-[(1Z)-1-phenylethylidene]formic hydrazide.

Physical properties of Hydrazinecarboxaldehyde, (1-phenylethylidene)- (9CI) are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 131; (8)ACD/KOC (pH 7.4): 131; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.46 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 48.246 cm3; (15)Molar Volume: 154.69 cm3; (16)Polarizability: 19.126×10-24cm3; (17)Surface Tension: 38.254 dyne/cm; (18)Density: 1.048 g/cm3; (19)Flash Point: 115.246 °C; (20)Enthalpy of Vaporization: 50.495 kJ/mol; (21)Boiling Point: 266.948 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=NNC=O)C1=CC=CC=C1
(2)Isomeric SMILES: C/C(=N\NC=O)/C1=CC=CC=C1
(3)InChI: InChI=1S/C9H10N2O/c1-8(11-10-7-12)9-5-3-2-4-6-9/h2-7H,1H3,(H,10,12)/b11-8+
(4)InChIKey: JMJYQAJZXCBJTJ-DHZHZOJOSA-N

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