Found 1 result

Search term: 61679571 (Found by CSID)
ChemSpider 2D Image | (1R,2S,5R)-1,5-Dimethyl-3-methylene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid | C9H10O4

(1R,2S,5R)-1,5-Dimethyl-3-methylene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid

  • Molecular FormulaC9H10O4
  • Average mass182.173 Da
  • Monoisotopic mass182.057907 Da
  • ChemSpider ID61679571

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,5R)-1,5-Dimethyl-3-methylen-4-oxo-6-oxabicyclo[3.1.0]hexan-2-carbonsäure [German] [ACD/IUPAC Name]
(1R,2S,5R)-1,5-Dimethyl-3-methylene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid [ACD/IUPAC Name]
6-Oxabicyclo[3.1.0]hexane-2-carboxylic acid, 1,5-dimethyl-3-methylene-4-oxo-, (1R,2S,5R)- [ACD/Index Name]
Acide (1R,2S,5R)-1,5-diméthyl-3-méthylène-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylique [French] [ACD/IUPAC Name]
(1R,2S,5R)-1,5-Dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid
64911-60-0 [RN]
Methylenomycin A [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 341.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.3±6.0 kJ/mol
Flash Point: 141.2±21.4 °C
Index of Refraction: 1.546
Molar Refractivity: 42.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -2.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 134.7±5.0 cm3

Click to predict properties on the Chemicalize site


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