42711-75-1 3-hydroxy-1-adamantanecarboxylic acid adamantane
Molecule structure of 3-Hydroxyadamantane-1-carboxylic acid (CAS NO.42711-75-1):
IUPAC Name: (5S,7R)-3-Hydroxyadamantane-1-carboxylate
Molecular Weight: 196.24 g/mol
Molecular Formula: C11H16O3
Melting Point: 203 °C
Index of Refraction: 1.638
Molar Refractivity: 49.72 cm3
Molar Volume: 138.2 cm3
Surface Tension: 77.2 dyne/cm
Density: 1.419 g/cm3
Flash Point: 184 °C
Enthalpy of Vaporization: 69.75 kJ/mol
Boiling Point: 357.2 °C at 760 mmHg
Vapour Pressure: 1.55E-06 mmHg at 25 °C
SMILES: O=C(O)C13CC2CC(CC(O)(C1)C2)C3
InChI: InChI=1/C11H16O3/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10/h7-8,14H,1-6H2,(H,12,13)
InChIKey: CJJMAWPEZKYJAP-UHFFFAOYAF
Product Categories of 3-Hydroxyadamantane-1-carboxylic acid (CAS NO.42711-75-1: Adamantane derivatives;Carboxylic Acids;Carboxylic Acids;Ring Systems
Molecule structure of 3-Hydroxyadamantane-1-carboxylic acid (CAS NO.42711-75-1):
IUPAC Name: (5S,7R)-3-Hydroxyadamantane-1-carboxylate
Molecular Weight: 196.24 g/mol
Molecular Formula: C11H16O3
Melting Point: 203 °C
Index of Refraction: 1.638
Molar Refractivity: 49.72 cm3
Molar Volume: 138.2 cm3
Surface Tension: 77.2 dyne/cm
Density: 1.419 g/cm3
Flash Point: 184 °C
Enthalpy of Vaporization: 69.75 kJ/mol
Boiling Point: 357.2 °C at 760 mmHg
Vapour Pressure: 1.55E-06 mmHg at 25 °C
SMILES: O=C(O)C13CC2CC(CC(O)(C1)C2)C3
InChI: InChI=1/C11H16O3/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10/h7-8,14H,1-6H2,(H,12,13)
InChIKey: CJJMAWPEZKYJAP-UHFFFAOYAF
Product Categories of 3-Hydroxyadamantane-1-carboxylic acid (CAS NO.42711-75-1: Adamantane derivatives;Carboxylic Acids;Carboxylic Acids;Ring Systems
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S37/39:Wear suitable gloves and eye/face protection.
Hazard Note: Irritant
HazardClass: IRRITANT
3-Hydroxyadamantane-1-carboxylic acid (CAS NO.42711-75-1) is also named as 1-carboxy-3-hydroxyadamantane ; 3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid ; tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, 3-hydroxy- ; 1-Carboxy-3-adamantanol ; 3-Carboxy-1-hydroxyadamantane ; 3-hydroxy-1-adamantanecarboxylic acid ; 3-Hydroxy-adamantane-1-carboxylic acid ; 3-hydroxyadamantanecarboxylic acid ; 3-Hydroxytricyclo[3.3.1.13,7]decane-1-carboxylic acid .
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