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Home > Other Building Blocks > 137867-49-3
137867-49-3 | 2H-Pyran-2-one, 5,6-dihydromethyl- (9CI)
CAS No: 137867-49-3 Catalog No: AG0013ZP MDL No:
Product Description
Catalog Number:
AG0013ZP
Chemical Name:
2H-Pyran-2-one, 5,6-dihydromethyl- (9CI)
CAS Number:
137867-49-3
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
5-methyl-2,3-dihydropyran-6-one
InChI:
InChI=1S/C6H8O2/c1-5-3-2-4-8-6(5)7/h3H,2,4H2,1H3
InChI Key:
ZZYNAFWMGGBODV-UHFFFAOYSA-N
SMILES:
O=C1OCCC=C1C
Properties
Complexity:
136
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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