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823-23-4 | 2H-Pyran-2-one, 3,6-dihydro-6-methyl-
CAS No: 823-23-4 Catalog No: AG005E0V MDL No:
Product Description
Catalog Number:
AG005E0V
Chemical Name:
2H-Pyran-2-one, 3,6-dihydro-6-methyl-
CAS Number:
823-23-4
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
2-methyl-2,5-dihydropyran-6-one
InChI:
InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2-3,5H,4H2,1H3
InChI Key:
PDMMTNYAGBLROC-UHFFFAOYSA-N
SMILES:
CC1OC(=O)CC=C1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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