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5701-87-1

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Basic Information
CAS No.: 5701-87-1
Name: 2-Amino-3,4-dimethoxybenzoic acid
Article Data: 5
Molecular Structure:
Molecular Structure of 5701-87-1 (2-Amino-3,4-dimethoxybenzoic acid)
Formula: C9H11NO4
Molecular Weight: 197.191
Synonyms: 2-Amino-3,4-dimethoxybenzoic acid;
Density: 1.295 g/cm3
Boiling Point: 344.906 °C at 760 mmHg
Flash Point: 162.393 °C
PSA: 81.78000
LogP: 1.56540
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Specification

The Benzoic acid, 2-amino-3,4-dimethoxy- has the CAS registry number 5701-87-1. This chemical's molecular formula is C9H11NO4 and molecular weight is 197.19. What's more, its systematic name is 2-Amino-3,4-dimethoxybenzoic acid.

Physical properties of Benzoic acid, 2-amino-3,4-dimethoxy- are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 24; (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: 81.78 Å2; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 50.776 cm3; (14)Molar Volume: 152.248 cm3; (15)Polarizability: 20.129×10-24cm3; (16)Surface Tension: 51.866 dyne/cm; (17)Density: 1.295 g/cm3; (18)Flash Point: 162.393 °C; (19)Enthalpy of Vaporization: 62.152 kJ/mol; (20)Boiling Point: 344.906 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(N)c(OC)c(OC)cc1
(2)InChI: InChI=1S/C9H11NO4/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4H,10H2,1-2H3,(H,11,12)
(3)InChIKey: MCVCQDNCAFEFCF-UHFFFAOYSA-N