Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoicacid, 4-[amino(hydroxyimino)methyl]-, methyl ester, (Z)- (9CI) |
EINECS | N/A |
CAS No. | 184778-33-4 | Density | 1.28 g/cm3 |
PSA | 84.91000 | LogP | 1.26800 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10N2O3 | Boiling Point | 381.5 °C at 760 mmHg |
Molecular Weight | 194.19 | Flash Point | 184.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Methyl 4-(N'-hydroxycarbamimidoyl)benzoate; |
Article Data | 11 |
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