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190912-17-5 | 4H-Pyran-4-one, 2,3-dihydro-2-methyl-, (2R)-
CAS No: 190912-17-5 Catalog No: AG002EWC MDL No:
Product Description
Catalog Number:
AG002EWC
Chemical Name:
4H-Pyran-4-one, 2,3-dihydro-2-methyl-, (2R)-
CAS Number:
190912-17-5
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
(2R)-2-methyl-2,3-dihydropyran-4-one
InChI:
InChI=1S/C6H8O2/c1-5-4-6(7)2-3-8-5/h2-3,5H,4H2,1H3/t5-/m1/s1
InChI Key:
QQOGPTKWBZTBHM-RXMQYKEDSA-N
SMILES:
C[C@@H]1CC(=O)C=CO1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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