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Home > Other Building Blocks > 80927-97-5
80927-97-5 | 2H-Pyran-2-one, 5-acetyl-4-methoxy-6-methyl-
CAS No: 80927-97-5 Catalog No: AG0050JI MDL No:
Product Description
Catalog Number:
AG0050JI
Chemical Name:
2H-Pyran-2-one, 5-acetyl-4-methoxy-6-methyl-
CAS Number:
80927-97-5
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
5-acetyl-4-methoxy-6-methylpyran-2-one
InChI:
InChI=1S/C9H10O4/c1-5(10)9-6(2)13-8(11)4-7(9)12-3/h4H,1-3H3
InChI Key:
HJCDDONWKNVSRK-UHFFFAOYSA-N
SMILES:
COc1cc(=O)oc(c1C(=O)C)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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