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Search term: FXENFQRQJUHCSD-TWGQIWQCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-2-hexenoic acid | C12H19NO3

2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-2-hexenoic acid

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID22376813

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-2-hexenoic acid [ACD/IUPAC Name]
2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-2-hexensäure [German] [ACD/IUPAC Name]
2-Hexenoic acid, 2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]- [ACD/Index Name]
Acide 2-{[(2,2-diméthylcyclopropyl)carbonyl]amino}-2-hexénoïque [French] [ACD/IUPAC Name]
(2Z)-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}hex-2-enoic acid
2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-hex-2-enoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL273413/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 435.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±6.0 kJ/mol
Flash Point: 217.1±26.5 °C
Index of Refraction: 1.511
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 16.14
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 202.3±3.0 cm3

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