Found 35 results

Search term: MF = 'C_{9}H_{12}O_{7}'
ChemSpider 2D Image | (3R,4R,5R)-5-(Carboxymethoxy)-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid | C9H12O7

(3R,4R,5R)-5-(Carboxymethoxy)-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid

  • Molecular FormulaC9H12O7
  • Average mass232.187 Da
  • Monoisotopic mass232.058304 Da
  • ChemSpider ID23129668

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4R,5R)-5-(Carboxymethoxy)-3,4-dihydroxy-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3R,4R,5R)-5-(Carboxymethoxy)-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
(3R,4R,5R)-5-(carboxymethoxy)-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid
1-Cyclohexene-1-carboxylic acid, 5-(carboxymethoxy)-3,4-dihydroxy-, (3R,4R,5R)- [ACD/Index Name]
Acide (3R,4R,5R)-5-(carboxyméthoxy)-3,4-dihydroxy-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
(3R,4R,5R)-5-Carboxymethoxy-3,4-dihydroxy-cyclohex-1-enecarboxylic acid
5-Carboxymethoxy-3,4-dihydroxy-cyclohex-1-enecarboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 564.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 228.8±23.6 °C
Index of Refraction: 1.599
Molar Refractivity: 49.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -4.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 83.9±5.0 dyne/cm
Molar Volume: 144.5±5.0 cm3

Click to predict properties on the Chemicalize site


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