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129548-17-0 | 4H-Pyran-4-one, 2,3-dihydro-2-propyl-, (2S)-
CAS No: 129548-17-0 Catalog No: AG000Z83 MDL No:
Product Description
Catalog Number:
AG000Z83
Chemical Name:
4H-Pyran-4-one, 2,3-dihydro-2-propyl-, (2S)-
CAS Number:
129548-17-0
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
(2S)-2-propyl-2,3-dihydropyran-4-one
InChI:
InChI=1S/C8H12O2/c1-2-3-8-6-7(9)4-5-10-8/h4-5,8H,2-3,6H2,1H3/t8-/m0/s1
InChI Key:
INSHCENXEBIIHU-QMMMGPOBSA-N
SMILES:
CCC[C@H]1CC(=O)C=CO1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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