CAS No.13683-89-1,METHYL (3-HYDROXYPHENYL)CARBAMATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13683-89-1
Name:	METHYL (3-HYDROXYPHENYL)CARBAMATE
Article Data:	13

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	Methyl (3-hydroxyphenyl)carbamate;Methyl N-(3-hydroxyphenyl)carbamate;Methyl N-(3-hydroxyphenyl)-carbamate;
EINECS:	237-196-4
Density:	1.313 g/cm³
Melting Point:	94-96 °C
Boiling Point:	249.8 °C at 760 mmHg
Flash Point:	104.9 °C
Appearance:	Soil
PSA:	58.56000
LogP:	1.64350

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Specification

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