(1R,4S)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate supplier

Name
4,7,7-TRIMETHYL-3-OXO-BICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID
EINECS
CAS No. 6703-31-7
Density
Solubility
Melting Point
Formula C₁₁H₁₅O₃
Boiling Point 309.3 °C at 760 mmHg
Molecular Weight 195.2355
Flash Point 155.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms ZINC00167264;(1R,4S)-4,7,7-Trimethyl-3-oxo-norbornane-1-carboxylate;
PSA 54.37000
LogP 1.85650

(1R,4S)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate Specification

The (1R, 4S)-4, 7, 7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate, with the CAS registry number 6703-31-7, is also known as ZINC00167264. This chemical's molecular formula is C₁₁H₁₅O₃ and molecular weight is 195.2355. What's more, its IUPAC name is (1R, 4S)-4, 7, 7-Trimethyl-3-oxo-norbornane-1-carboxylate.

Physical properties about (1R, 4S)-4, 7, 7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): -1.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.19; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.37 Å²; (13)Flash Point: 155.1 °C; (14)Enthalpy of Vaporization: 60.49 kJ/mol; (15)Boiling Point: 309.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000144 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]C(=O)[C@]12CC(=O)[C@@](CC1)(C)C2(C)C
(2) InChI: InChI=1/C11H16O3/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12/h4-6H2,1-3H3,(H,13,14)/p-1/t10-,11+/m0/s1
(3) InChIKey: RKFCLVFAFZYVCG-MMSHREDSBF

Product Name

4,7,7-TRIMETHYL-3-OXO-BICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID

(1R,4S)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate Specification

Related Products

Hot Products