ChemSpider 2D Image | (2E)-3-(3,4-Dihydroxyphenyl)(~13~C_3_)-2-propenoic acid | C613C3H8O4

(2E)-3-(3,4-Dihydroxyphenyl)(13C3)-2-propenoic acid

  • Molecular FormulaC613C3H8O4
  • Average mass183.135 Da
  • Monoisotopic mass183.052322 Da
  • ChemSpider ID28565214
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(2E)-3-(3,4-Dihydroxyphenyl)(13C3)-2-propenoic acid [ACD/IUPAC Name]
(2E)-3-(3,4-Dihydroxyphenyl)(13C3)-2-propensäure [German] [ACD/IUPAC Name]
2-Propenoic-1,2,3-13C3 acid, 3-(3,4-dihydroxyphenyl)-, (2E)- [ACD/Index Name]
Acide (2E)-3-(3,4-dihydroxyphényl)(13C3)-2-propénoïque [French] [ACD/IUPAC Name]
(E)-3-(3,4-dihydroxyphenyl)acrylic-13C3 acid
1185245-82-2 [RN]
CAFFEIC ACID-13C3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 47.5±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: 18.8±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 121.9±3.0 cm3

Click to predict properties on the Chemicalize site






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