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| CAS No.: | 1007-01-8 |
|---|---|
| Name: | 2-NORBORNANEACETIC ACID |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C9H14O2 |
| Molecular Weight: | 154.209 |
| Synonyms: | 2-Norbornaneaceticacid (7CI,8CI);2-(Bicyclo[2.2.1]hept-2-yl)acetic acid;2-Norbornylacetic acid;Bicyclo[2.2.1]hept-2-ylacetic acid;NSC 174059; |
| EINECS: | 213-747-4 |
| Density: | 1.122 g/cm3 |
| Melting Point: | 107-108 ºC |
| Boiling Point: | 252.3 °C at 760 mmHg |
| Flash Point: | 133.4 °C |
| Appearance: | clear colourless to yellow liquid |
| Safety: | 24/25 |
| PSA: | 37.30000 |
| LogP: | 1.89730 |
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Specification
The Bicyclo[2.2.1]heptane-2-aceticacid, with the CAS registry number 1007-01-8, is also known as Bicyclo[2.2.1]hept-2-ylacetic acid. It belongs to the product categories of C9; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 213-747-4. This chemical's molecular formula is C9H14O2 and molecular weight is 154.21. It is clear colourless to yellow liquid. What's more, its IUPAC name is 2-(3-Bicyclo[2.2.1]heptanyl)acetic acid. Besides, avoid contact with skin and eyes.
Physical properties about Bicyclo[2.2.1]heptane-2-aceticacid are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): -0.48; (5)ACD/BCF (pH 5.5): 3.71; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 51.23; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 41.22 cm3; (15)Molar Volume: 137.4 cm3; (16)Polarizability: 16.34×10-24 cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.122 g/cm3; (19)Flash Point: 133.4 °C; (20)Enthalpy of Vaporization: 53.91 kJ/mol; (21)Boiling Point: 252.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00611 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC2CC1CCC2C1
(2) InChI: InChI=1/C9H14O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,10,11)
(3) InChIKey: FYHBMPWRHCWNBC-UHFFFAOYAL