ChemSpider 2D Image | (S)-1,2,3,4-tetrahedro-naphthoic acid | C11H12O2

(S)-1,2,3,4-tetrahedro-naphthoic acid

  • Molecular FormulaC11H12O2
  • Average mass176.212 Da
  • Monoisotopic mass176.083725 Da
  • ChemSpider ID21168938

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid
(1S)-1,2,3,4-Tetrahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
(1S)-1,2,3,4-Tetrahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
(1S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
(S)-1, 2, 3, 4-Tetrahydronaphthoic acid
(S)-1,2,3,4-tetrahedro-naphthoic acid
(S)-1,2,3,4-tetrahydro-1-naphthoic acid
1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-, (1S)- [ACD/Index Name]
85977-52-2 [RN]
Acide (1S)-1,2,3,4-tétrahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 342.7±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 156.4±16.7 °C
Index of Refraction: 1.576
Molar Refractivity: 49.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 3.60
ACD/KOC (pH 5.5): 38.67
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 148.5±3.0 cm3

Click to predict properties on the Chemicalize site


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