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89050-76-0 | 4H-Pyran-4-one, tetrahydro-3,3,5,5-tetramethyl-
CAS No: 89050-76-0 Catalog No: AG0042DK MDL No:MFCD21648548
Product Description
Catalog Number:
AG0042DK
Chemical Name:
4H-Pyran-4-one, tetrahydro-3,3,5,5-tetramethyl-
CAS Number:
89050-76-0
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD21648548
IUPAC Name:
3,3,5,5-tetramethyloxan-4-one
InChI:
InChI=1S/C9H16O2/c1-8(2)5-11-6-9(3,4)7(8)10/h5-6H2,1-4H3
InChI Key:
DZOZPISGPMTMLM-UHFFFAOYSA-N
SMILES:
O=C1C(C)(C)COCC1(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:
1.4
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