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| CAS No.: | 16200-53-6 |
|---|---|
| Name: | 3-NORADAMANTANECARBOXYLIC ACID |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C10H14O2 |
| Molecular Weight: | 166.22 |
| Synonyms: | 3-Noradamantanecarboxylicacid;Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid; |
| Density: | 1.291g/cm3 |
| Melting Point: | 104-108 ºC |
| Boiling Point: | 288°C at 760mmHg |
| Flash Point: | 133.1°C |
| Solubility: | insoluble |
| Appearance: | white crystalline powder and chunks or crystals |
| Hazard Symbols: |
 Xi C F
|
| Risk Codes: | 36/37/38-34-11 |
| Safety: | 37/39-26-45-36/37/39-16 |
| PSA: | 37.30000 |
| LogP: | 1.89730 |
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- Total:31 Page 1 of 1 1
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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)