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3-Noradamantanecarboxylic acid

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Name

3-Noradamantanecarboxylic acid

EINECS N/A
CAS No. 16200-53-6 Density 1.291g/cm3
PSA 37.30000 LogP 1.89730
Solubility insoluble Melting Point 104-108 ºC
Formula C10H14O2 Boiling Point 288°C at 760mmHg
Molecular Weight 166.22 Flash Point 133.1°C
Transport Information N/A Appearance white crystalline powder and chunks or crystals
Safety 37/39-26-45-36/37/39-16 Risk Codes 36/37/38-34-11
Molecular Structure Molecular Structure of 16200-53-6 (3-NORADAMANTANECARBOXYLIC ACID) Hazard Symbols IrritantXiCorrosiveCFlammableF
Synonyms

3-Noradamantanecarboxylicacid;Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid;

Article Data 7

3-Noradamantanecarboxylic acid Specification

The cas register number of 3-Noradamantanecarboxylic acid is 16200-53-6. It also can be called as 2,5-Methanopentalene-3a(1H)-carboxylic acid, hexahydro- and the Systematic name about this chemical is hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid.

Physical properties about 3-Noradamantanecarboxylic acid are: (1)ACD/LogP:  2.03  ; (2)# of Rule of 5 Violations:  0  ; (3)ACD/LogD (pH 5.5):  1.24  ; (4)ACD/LogD (pH 7.4):  -0.56  ; (5)ACD/BCF (pH 5.5):  3.3; (6)ACD/BCF (pH 7.4):  1; (7)ACD/KOC (pH 5.5):  48.53; (8)ACD/KOC (pH 7.4):  1; (9)#H bond acceptors:  2; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  1; (12)Polar Surface Area:  26.3Å2; (13)Index of Refraction:  1.593; (14)Molar Refractivity:  43.61 cm3; (15)Molar Volume:  128.7 cm3; (16)Surface Tension:  57.4 dyne/cm; (17)Density:  1.291 g/cm3; (18)Flash Point:  133.1 °C; (19)Enthalpy of Vaporization:  58.01 kJ/mol; (20)Boiling Point:  288 °C at 760 mmHg; (21)Vapour Pressure:  0.00061 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It is causly burns and highly flammable. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Keep it away from sources of ignition.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(O)C21CC3CC1CC(C2)C3
2.InChI: InChI=1/C10H14O2/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2,(H,11,12) 
3.InChIKey: RXUUYFUQAGICCD-UHFFFAOYAV
4.Std. InChI: InChI=1S/C10H14O2/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2,(H,11,12)

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