Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Bicyclo[2.2.1]heptane-2-aceticacid, 3,3-dimethyl- |
EINECS | 254-653-3 |
CAS No. | 39850-65-2 | Density | 1.036 g/cm3 |
PSA | 37.30000 | LogP | 2.53340 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H18O2 | Boiling Point | 278.8 °C at 760 mmHg |
Molecular Weight | 182.263 | Flash Point | 134.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Camphenilaneaceticacid (5CI); |
Article Data | 3 |
The CAS registry number of Bicyclo[2.2.1]heptane-2-aceticacid, 3,3-dimethyl- is 39850-65-2. This chemical's molecular formula is C11H18O2 and molecular weight is 182.2594. What's more, its systematic name is (3,3-Dimethylbicyclo[2.2.1]hept-2-yl)acetic acid.
Physical properties about Bicyclo[2.2.1]heptane-2-aceticacid, 3,3-dimethyl- are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 22.59; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 186.82; (8)ACD/KOC (pH 7.4): 2.97; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 50.54 cm3; (15)Molar Volume: 175.8 cm3; (16)Polarizability: 20.03×10-24 cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.036 g/cm3; (19)Flash Point: 134.2 °C; (20)Enthalpy of Vaporization: 56.94 kJ/mol; (21)Boiling Point: 278.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00112 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC2(C)C1CCC(C1)C2CC(O)=O
(2) InChI: InChI=1/C11H18O2/c1-11(2)8-4-3-7(5-8)9(11)6-10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)
(3) InChIKey: QJZWXXJNTXTQNZ-UHFFFAOYAK