ChemSpider 2D Image | MFCD04118138 | C813CH8O4

MFCD04118138

  • Molecular FormulaC813CH8O4
  • Average mass181.150 Da
  • Monoisotopic mass181.045609 Da
  • ChemSpider ID49071297

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1173022-25-7 [RN]
2-Acetoxy(carboxy-13C)benzoesäure [German] [ACD/IUPAC Name]
2-Acetoxy(carboxy-13C)benzoic acid [ACD/IUPAC Name]
ACETYLSALICYLIC ACID-α-13C
Acide 2-acétoxy(carboxy-13C)benzoïque [French] [ACD/IUPAC Name]
Aspirin-(carboxyl-13C)
Benzoic-carboxy-13C acid, 2-(acetyloxy)- [ACD/Index Name]
MFCD04118138
2-(Acetyloxy)(carboxy-13C)benzoic acid
2-(Acetyloxy)benzoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.551
Molar Refractivity: 44.5±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 139.6±3.0 cm3

Click to predict properties on the Chemicalize site


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