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Benzoicacid, 3-amino-5-hydroxy-, methyl ester

  • Name Benzoicacid, 3-amino-5-hydroxy-, methyl ester
  • EINECSN/A
  • CAS No. 67973-80-2
  • Density1.306 g/cm3
  • PSA72.55000
  • LogP1.34220
  • SolubilityN/A
  • Melting Point124.5 °C
  • FormulaC8H9NO3
  • Boiling Point376.446 °C at 760 mmHg
  • Molecular Weight167.164
  • Flash Point181.468 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 67973-80-2 (methyl 3-amino-5-hydroxybenzoate)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data3

Benzoicacid, 3-amino-5-hydroxy-, methyl ester Specification

The CAS register number of Benzoicacid, 3-amino-5-hydroxy-, methyl ester is 67973-80-2. It also can be called as Methyl 3-amino-5-hydroxybenzoate and the systematic name about this chemical is methyl 3-amino-5-hydroxybenzoate. The molecular formula about this chemical is C8H9NO3 and the molecular weight is 167.16196.

Physical properties about Benzoicacid, 3-amino-5-hydroxy-, methyl ester are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 69; (7)ACD/KOC (pH 7.4): 68; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 72.55 Å2; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 44.144 cm3; (14)Molar Volume: 128.036 cm3; (15)Polarizability: 17.5x10-24cm3; (16)Surface Tension: 57.759 dyne/cm; (17)Density: 1.306 g/cm3; (18)Flash Point: 181.468 °C; (19)Enthalpy of Vaporization: 64.856 kJ/mol; (20)Boiling Point: 376.446 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(cc(O)c1)C(=O)OC
(2)InChI: InChI=1/C8H9NO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,9H2,1H3
(3)InChIKey: DMNGQQIFOZYIRA-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H9NO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,9H2,1H3
(5)Std. InChIKey: DMNGQQIFOZYIRA-UHFFFAOYSA-N

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