CAS No.253120-47-7,METHYL 2-AMINO-3-CARBOXYBENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	253120-47-7
Name:	METHYL 2-AMINO-3-CARBOXYBENZOATE
Article Data:	2

Formula:	C₉H₉NO₄
Molecular Weight:	195.175
Synonyms:	1,3-Benzenedicarboxylicacid, 2-amino-, monomethyl ester (9CI);2-Amino-3-(methoxycarbonyl)benzoic acid;
EINECS:	676-023-0
Density:	1.373 g/cm³
Melting Point:	160 °C
Boiling Point:	370.431 °C at 760 mmHg
Flash Point:	177.831 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	89.62000
LogP:	1.33480

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Specification

This chemical is called 2-Amino-3-methoxycarbonyl-benzoic acid, and its CAS registry number is 253120-47-7. With the molecular formula of C₉H₉NO₄, its molecular weight is 195.17. Additionally, its product categories are Amino Acid; Esters; Phenyls & Phenyl-Het.

Other characteristics of the 2-Amino-3-methoxycarbonyl-benzoic acid can be summarised as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.379; (4)ACD/BCF (pH 5.5): 3.291; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 35.923; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 89.62 Å²; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 49.192 cm³; (14)Molar Volume: 142.136 cm³; (15)Polarizability: 19.501×10^-24cm³; (16)Surface Tension: 62.775 dyne/cm; (17)Density: 1.373 g/cm³; (18)Flash Point: 177.831 °C; (19)Enthalpy of Vaporization: 65.128 kJ/mol; (20)Boiling Point: 370.431 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COC(=O)c1cccc(c1N)C(=O)O
2.InChI: InChI=1/C9H9NO4/c1-14-9(13)6-4-2-3-5(7(6)10)8(11)12/h2-4H,10H2,1H3,(H,11,12)
3.InChIKey: UXQCFHRNRAGKOY-UHFFFAOYAH