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4830-05-1

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Basic Information
CAS No.: 4830-05-1
Name: 3,3-DIMETHYL-TETRAHYDRO-PYRAN-2-ONE
Article Data: 26
Molecular Structure:
Molecular Structure of 4830-05-1 (3,3-DIMETHYL-TETRAHYDRO-PYRAN-2-ONE)
Formula: C7H12O2
Molecular Weight: 128.171
Synonyms: Valericacid, 5-hydroxy-2,2-dimethyl-, d-lactone(7CI,8CI);NSC 134778;3,3-dimethyloxan-2-one;
Density: 0.967 g/cm3
Boiling Point: 206.3 °C at 760 mmHg
Flash Point: 74.8 °C
PSA: 26.30000
LogP: 1.34960
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Specification

The CAS register number of 2H-Pyran-2-one,tetrahydro-3,3-dimethyl- is 4830-05-1. The IUPAC name about this chemical is 3,3-dimethyloxan-2-one. The molecular formula about this chemical is C7H12O2 and the molecular weight is 128.17.

Physical properties about 2H-Pyran-2-one,tetrahydro-3,3-dimethyl- are: (1)ACD/LogP: 0.83; (2)#H bond acceptors: 2; (3)Polar Surface Area: 26.3 Å2; (4)Index of Refraction: 1.428; (5)Molar Refractivity: 34.11 cm3; (6)Molar Volume: 132.4 cm3; (7)Polarizability: 13.52x10-24cm3; (8)Surface Tension: 27.2 dyne/cm; (9)Density: 0.967 g/cm3; (10)Flash Point: 74.8 °C; (11)Enthalpy of Vaporization: 44.26 kJ/mol; (12)Boiling Point: 206.3 °C at 760 mmHg; (13)Vapour Pressure: 0.239 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCCC1(C)C
(2)InChI: InChI=1/C7H12O2/c1-7(2)4-3-5-9-6(7)8/h3-5H2,1-2H3
(3)InChIKey: CJNWCYZELLHABH-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H12O2/c1-7(2)4-3-5-9-6(7)8/h3-5H2,1-2H3
(5)Std. InChIKey: CJNWCYZELLHABH-UHFFFAOYSA-N