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Benzoic acid, 2-amino-3,4-dimethoxy-

  • Name Benzoic acid, 2-amino-3,4-dimethoxy-
  • EINECSN/A
  • CAS No. 5701-87-1
  • Density1.295 g/cm3
  • PSA81.78000
  • LogP1.56540
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H11NO4
  • Boiling Point344.906 °C at 760 mmHg
  • Molecular Weight197.191
  • Flash Point162.393 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 5701-87-1 (2-Amino-3,4-dimethoxybenzoic acid)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data5

Benzoic acid, 2-amino-3,4-dimethoxy- 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

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