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128683-72-7 | 2H-Pyran-2-one, 5,6-dihydro-5-methyl-6-(1-methylethyl)-, (5S,6R)-
CAS No: 128683-72-7 Catalog No: AG000YB6 MDL No:
Product Description
Catalog Number:
AG000YB6
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-5-methyl-6-(1-methylethyl)-, (5S,6R)-
CAS Number:
128683-72-7
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
(2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one
InChI:
InChI=1S/C9H14O2/c1-6(2)9-7(3)4-5-8(10)11-9/h4-7,9H,1-3H3/t7-,9+/m0/s1
InChI Key:
JLDQMVGILWMRFL-IONNQARKSA-N
SMILES:
O=C1C=C[C@@H]([C@H](O1)C(C)C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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