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56674-87-4

Basic Information
CAS No.: 56674-87-4
Name: 2-Adamantone-5-carboxylic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 56674-87-4 (2-Adamantone-5-carboxylic acid)
Formula: C10H14O3
Molecular Weight: 194.23
Synonyms: 1-Carboxy-4-adamantanone;4-Oxo-1-adamantanecarboxylic acid;Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 4-oxo-;
Density: 1.358g/cm3
Melting Point: 169.5-171.0 °C(Solv: ethyl ether (60-29-7))
Boiling Point: 367.6 °C at 760 mmHg
Flash Point: 190.3 °C
PSA: 54.37000
LogP: 1.46640
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Chemistry

Systematic Name: 4-Oxotricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
Molecular Structure:
Molecular Formula: C10H14O3
Molecular Weight: 194.23
CAS NO: 56674-87-4
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.591
Molar Refractivity: 48.36 cm3
Molar Volume: 142.9 cm3
Surface Tension: 61 dyne/cm
Density: 1.358 g/cm3
Flash Point: 190.3 °C
Enthalpy of Vaporization: 67.45 kJ/mol
Boiling Point: 367.6 °C at 760 mmHg
Vapour Pressure: 2.07E-06 mmHg at 25°C 
SMILES: O=C(O)C32CC1C(=O)C(CC(C1)C2)C3
InChI: InChI=1/C11H14O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-8H,1-5H2,(H,13,14)
InChIKey: VFNJWHFPIRNNRQ-UHFFFAOYAG
Std. InChI: InChI=1S/C11H14O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-8H,1-5H2,(H,13,14)
Std. InChIKey: VFNJWHFPIRNNRQ-UHFFFAOYSA-N
Product Categories of 2-Adamantone-5-carboxylic acid (CAS NO.56674-87-4): Adamantane derivatives  
Synonyms : Tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, 4-oxo-