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184778-33-4

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Basic Information
CAS No.: 184778-33-4
Name: METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE 95
Article Data: 11
Molecular Structure:
Molecular Structure of 184778-33-4 (METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE 95)
Formula: C9H10N2O3
Molecular Weight: 194.19
Synonyms: Methyl 4-(N'-hydroxycarbamimidoyl)benzoate;
Density: 1.28 g/cm3
Boiling Point: 381.5 °C at 760 mmHg
Flash Point: 184.5 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 84.91000
LogP: 1.26800
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Specification

The Benzoicacid, 4-[amino(hydroxyimino)methyl]-, methyl ester, (Z)- (9CI), with the CAS registry number 184778-33-4, is also known as Methyl 4-(N'-hydroxycarbamimidoyl)benzoate. This chemical's molecular formula is C9H10N2O3 and molecular weight is 194.1873. What's more, its systematic name is Methyl 4-(hydroxycarbamimidoyl)benzoate.

Physical properties about Benzoicacid, 4-[amino(hydroxyimino)methyl]-, methyl ester, (Z)- (9CI) are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.79; (6)ACD/BCF (pH 7.4): 8.95; (7)ACD/KOC (pH 5.5): 164.02; (8)ACD/KOC (pH 7.4): 167.05; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 51.13 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 49.34 cm3; (15)Molar Volume: 150.6 cm3; (16)Polarizability: 19.56×10-24 cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 184.5 °C; (20)Enthalpy of Vaporization: 66.43 kJ/mol; (21)Boiling Point: 381.5 °C at 760 mmHg; (22)Vapour Pressure: 1.69E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccc(/C(=N\O)N)cc1
(2) InChI: InChI=1/C9H10N2O3/c1-14-9(12)7-4-2-6(3-5-7)8(10)11-13/h2-5,13H,1H3,(H2,10,11)
(3) InChIKey: IGHWNCLZGNNKBN-UHFFFAOYAL