ChemSpider 2D Image | MFCD02727793 | C12H10O4

MFCD02727793

  • Molecular FormulaC12H10O4
  • Average mass218.205 Da
  • Monoisotopic mass218.057907 Da
  • ChemSpider ID22902400

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4Z)-5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid [ACD/IUPAC Name]
(2E,4Z)-5-(1,3-Benzodioxol-5-yl)-2,4-pentadiensäure [German] [ACD/IUPAC Name]
(2E,4Z)-Piperic acid
2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)-, (2E,4Z)- [ACD/Index Name]
495-87-4 [RN]
Acide (2E,4Z)-5-(1,3-benzodioxol-5-yl)-2,4-pentadiénoïque [French] [ACD/IUPAC Name]
ISOCHAVICINIC ACID
MFCD02727793
(2E,4Z)-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)- (9CI)
More...

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

3F076NX5P9 [DBID]
UNII:3F076NX5P9 [DBID]
UNII-3F076NX5P9 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 427.9±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 171.5±16.4 °C
Index of Refraction: 1.647
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 27.70
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 162.8±3.0 cm3

Click to predict properties on the Chemicalize site


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