Product Name

  • Name

    2-(7-Methoxynaphthalen-1-yl)acetic acid

  • EINECS 1312995-182-4
  • CAS No. 6836-22-2
  • Article Data12
  • CAS DataBase
  • Density 1.235 g/cm3
  • Solubility
  • Melting Point 153-154 °C
  • Formula C13H12O3
  • Boiling Point 408.8 °C at 760 mmHg
  • Molecular Weight 216.236
  • Flash Point 160.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6836-22-2 (2-(7-Methoxynaphthalen-1-yl)acetic acid)
  • Hazard Symbols
  • Synonyms (7-Methoxy-1-naphthyl)aceticacid;7-Methoxy-1-naphthaleneacetic acid;
  • PSA 46.53000
  • LogP 2.47550

7-Methoxy-1-naphthaleneacetic acid Specification

The 7-Methoxy-1-naphthaleneacetic acid is an organic compound with the formula C13H12O3. The systematic name of this chemical is (7-methoxynaphthalen-1-yl)acetic acid. With the CAS registry number 6836-22-2, it is also named as 2-(7-methoxynaphthyl)acetic acid.

Physical properties about 7-Methoxy-1-naphthaleneacetic acid are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 1.45; (3)ACD/BCF (pH 5.5): 3.83; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 41.44; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.53 Å2; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 61.88 cm3; (13)Molar Volume: 174.9 cm3; (14)Polarizability: 24.53×10-24cm3; (15)Surface Tension: 50.3 dyne/cm; (16)Density: 1.235 g/cm3; (17)Flash Point: 160.7 °C; (18)Enthalpy of Vaporization: 69.69 kJ/mol; (19)Boiling Point: 408.8 °C at 760 mmHg; (20)Vapour Pressure: 2.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)Cc1cccc2ccc(OC)cc12
(2)InChI: InChI=1/C13H12O3/c1-16-11-6-5-9-3-2-4-10(7-13(14)15)12(9)8-11/h2-6,8H,7H2,1H3,(H,14,15)
(3)InChIKey: GJPYHKXILUFWKV-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C13H12O3/c1-16-11-6-5-9-3-2-4-10(7-13(14)15)12(9)8-11/h2-6,8H,7H2,1H3,(H,14,15)
(5)Std. InChIKey: GJPYHKXILUFWKV-UHFFFAOYSA-N

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