Bicyclo[2.2.1]heptane-2-aceticacid, 3,3-dimethyl- supplier

Name
(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acetic acid
EINECS 254-653-3
CAS No. 39850-65-2
Article Data3
CAS DataBase
Density 1.036 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₈O₂
Boiling Point 278.8 °C at 760 mmHg
Molecular Weight 182.263
Flash Point 134.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Camphenilaneaceticacid (5CI);
PSA 37.30000
LogP 2.53340

Bicyclo[2.2.1]heptane-2-aceticacid, 3,3-dimethyl- Specification

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^-24cm³; (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

Product Name

(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acetic acid

Bicyclo[2.2.1]heptane-2-aceticacid, 3,3-dimethyl- Specification

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