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138809-74-2 | 2H-Pyran-3(6H)-one, 6-hydroxy-2-methyl-, (2S,6R)-
CAS No: 138809-74-2 Catalog No: AG0019MI MDL No:
Product Description
Catalog Number:
AG0019MI
Chemical Name:
2H-Pyran-3(6H)-one, 6-hydroxy-2-methyl-, (2S,6R)-
CAS Number:
138809-74-2
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
(2R,6S)-2-hydroxy-6-methyl-2H-pyran-5-one
InChI:
InChI=1S/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-4,6,8H,1H3/t4-,6+/m0/s1
InChI Key:
PLYSJDAYJMFETG-UJURSFKZSA-N
SMILES:
C[C@@H]1O[C@@H](O)C=CC1=O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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