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Search term: FXCTZFMSAHZQTR-ZBUQWEBQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Ethyl (1aS,7E)-7-(hydroxyimino)-7,7a-dihydrocyclopropa[b]chromene-1a(1H)-carboxylate | C13H13NO4

Ethyl (1aS,7E)-7-(hydroxyimino)-7,7a-dihydrocyclopropa[b]chromene-1a(1H)-carboxylate

  • Molecular FormulaC13H13NO4
  • Average mass247.247 Da
  • Monoisotopic mass247.084457 Da
  • ChemSpider ID23214736

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1aS,7E)-7-(Hydroxyimino)-7,7a-dihydrocyclopropa[b]chromène-1a(1H)-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclopropa[b][1]benzopyran-1a(1H)-carboxylic acid, 7,7a-dihydro-7-(hydroxyimino)-, ethyl ester, (1aS,7E)- [ACD/Index Name]
Ethyl (1aS,7E)-7-(hydroxyimino)-7,7a-dihydrocyclopropa[b]chromene-1a(1H)-carboxylate [ACD/IUPAC Name]
Ethyl-(1aS,7E)-7-(hydroxyimino)-7,7a-dihydrocyclopropa[b]chromen-1a(1H)-carboxylat [German] [ACD/IUPAC Name]
(-)1aS,7aS -2-Hydroxyimino-1a,2-dihydro-1H-7-oxa-cyclopropa[b]naphthalene-7a-carboxylic acid ethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL337583/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 397.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 194.4±27.9 °C
Index of Refraction: 1.644
Molar Refractivity: 62.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.45
ACD/KOC (pH 5.5): 269.45
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.44
ACD/KOC (pH 7.4): 269.33
Polar Surface Area: 68 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 173.1±7.0 cm3

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