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Name |
Carbamic acid,N-(3-hydroxyphenyl)-,methyl ester |
EINECS | 237-196-4 |
CAS No. | 13683-89-1 | Density | 1.313 g/cm3 |
PSA | 58.56000 | LogP | 1.64350 |
Solubility | N/A | Melting Point |
94-96 °C |
Formula | C8H9NO3 | Boiling Point | 249.8 °C at 760 mmHg |
Molecular Weight | 167.164 | Flash Point | 104.9 °C |
Transport Information | N/A | Appearance | Soil |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl (3-hydroxyphenyl)carbamate;Methyl N-(3-hydroxyphenyl)carbamate;Methyl N-(3-hydroxyphenyl)-carbamate; |
Article Data | 13 |
The Carbamic acid,N-(3-hydroxyphenyl)-,methyl ester, with the CAS registry number of 13683-89-1, is also known as Methyl N-(3-hydroxyphenyl)-carbamate. Its EINECS registry number is 237-196-4. The molecular formula of this chemical is C8H9NO3 and its molecular weight is 167.16. What's more, its IUPAC name is Methyl N-(3-hydroxyphenyl)carbamate. This chemical's classification code is Mutation data.
Physical properties about Carbamic acid,N-(3-hydroxyphenyl)-,methyl ester are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 7.02; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 140.43; (8)ACD/KOC (pH 7.4): 139.95; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 44.15 cm3; (15)Molar Volume: 127.3 cm3; (16)Polarizability: 17.5×10-24 cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.313 g/cm3; (19)Flash Point: 104.9 °C; (20)Enthalpy of Vaporization: 50.67 kJ/mol; (21)Boiling Point: 249.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0142 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)Nc1cccc(O)c1
(2) InChI: InChI=1/C8H9NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)
(3) InChIKey: FFQQCJGNKKIRMD-UHFFFAOYAV
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