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70639-88-2 | 2H-Pyran-2-one, 5,6-dihydro-4,6-dimethyl-6-(2-methylpropyl)-
CAS No: 70639-88-2 Catalog No: AG005H78 MDL No:
Product Description
Catalog Number:
AG005H78
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-4,6-dimethyl-6-(2-methylpropyl)-
CAS Number:
70639-88-2
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
2,4-dimethyl-2-(2-methylpropyl)-3H-pyran-6-one
InChI:
InChI=1S/C11H18O2/c1-8(2)6-11(4)7-9(3)5-10(12)13-11/h5,8H,6-7H2,1-4H3
InChI Key:
PZEPSHQKGBYRSQ-UHFFFAOYSA-N
SMILES:
CC(CC1(C)CC(=CC(=O)O1)C)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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