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1197-66-6 | 4H-Pyran-4-one, tetrahydro-2,2,6,6-tetramethyl-
CAS No: 1197-66-6 Catalog No: AG000PHN MDL No:MFCD12828096
Product Description
Catalog Number:
AG000PHN
Chemical Name:
4H-Pyran-4-one, tetrahydro-2,2,6,6-tetramethyl-
CAS Number:
1197-66-6
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD12828096
IUPAC Name:
2,2,6,6-tetramethyloxan-4-one
InChI:
InChI=1S/C9H16O2/c1-8(2)5-7(10)6-9(3,4)11-8/h5-6H2,1-4H3
InChI Key:
NOGFHTGYPKWWRX-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)OC(C1)(C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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