ChemSpider 2D Image | (+)-1'-acetoxychavicol acetate | C13H14O4

(+)-1'-acetoxychavicol acetate

  • Molecular FormulaC13H14O4
  • Average mass234.248 Da
  • Monoisotopic mass234.089203 Da
  • ChemSpider ID23246648

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-1'-acetoxychavicol acetate
(1R)-1-(4-Acetoxyphenyl)-2-propen-1-yl acetate [ACD/IUPAC Name]
(1R)-1-(4-Acetoxyphenyl)-2-propen-1-yl-acetat [German] [ACD/IUPAC Name]
(1R)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate
274927-55-8 [RN]
Acétate de (1R)-1-(4-acétoxyphényl)-2-propén-1-yle [French] [ACD/IUPAC Name]
Benzenemethanol, 4-(acetyloxy)-α-ethenyl-, acetate, (αR)- [ACD/Index Name]
1'-ACETOXYCHAVICOL ACETATE, (+)-
Acetic acid 4-((R)-1-acetoxy-allyl)-phenyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL414656/

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

W3CO1R9K3N [DBID]
UNII:W3CO1R9K3N [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 325.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 157.8±23.0 °C
Index of Refraction: 1.511
Molar Refractivity: 62.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.60
ACD/KOC (pH 5.5): 466.78
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.60
ACD/KOC (pH 7.4): 466.78
Polar Surface Area: 53 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 208.7±3.0 cm3

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