Cyclohexanecarboxylicacid, 2,2-dimethyl-4-oxo- supplier

Name
2,2-DIMETHYL-4-OXOCYCLOHEXANECARBOXYLIC ACID
EINECS
CAS No. 4029-26-9
Density 1.108 g/cm³
Solubility
Melting Point
Formula C₉H₁₄O₃
Boiling Point 301.6 °C at 760 mmHg
Molecular Weight 170.208
Flash Point 150.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2-Dimethyl-4-ketocyclohexanecarboxylicacid;
PSA 54.37000
LogP 1.46640

Cyclohexanecarboxylicacid, 2,2-dimethyl-4-oxo- Specification

The Cyclohexanecarboxylicacid, 2,2-dimethyl-4-oxo- is an organic compound with the formula C₉H₁₄O₃. With the CAS registry number 4029-26-9, the systematic name of this chemical is 2,2-dimethyl-4-oxo-cyclohexanecarboxylic acid.

Physical properties about Cyclohexanecarboxylicacid, 2,2-dimethyl-4-oxo- are: (1)ACD/LogP: 0.78; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5.29; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 54.37 Å²; (10)Index of Refraction: 1.474; (11)Molar Refractivity: 43.22 cm³; (12)Molar Volume: 153.6 cm³; (13)Polarizability: 17.13×10^-24cm³; (14)Surface Tension: 38.4 dyne/cm; (15)Density: 1.108 g/cm³; (16)Flash Point: 150.4 °C; (17)Enthalpy of Vaporization: 59.59 kJ/mol; (18)Boiling Point: 301.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000244 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(CC(=O)CCC1C(=O)O)C
(2)InChI: InChI=1/C9H14O3/c1-9(2)5-6(10)3-4-7(9)8(11)12/h7H,3-5H2,1-2H3,(H,11,12)
(3)InChIKey: NZSQDCPBCNZMHB-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H14O3/c1-9(2)5-6(10)3-4-7(9)8(11)12/h7H,3-5H2,1-2H3,(H,11,12)
(5)Std. InChIKey: NZSQDCPBCNZMHB-UHFFFAOYSA-N

Product Name

2,2-DIMETHYL-4-OXOCYCLOHEXANECARBOXYLIC ACID

Cyclohexanecarboxylicacid, 2,2-dimethyl-4-oxo- Specification

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