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19926-37-5 | 4H-Pyran-4-one, 3-acetyl-6-hydroxy-2-methyl-
CAS No: 19926-37-5 Catalog No: AG002C08 MDL No:
Product Description
Catalog Number:
AG002C08
Chemical Name:
4H-Pyran-4-one, 3-acetyl-6-hydroxy-2-methyl-
CAS Number:
19926-37-5
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
IUPAC Name:
5-acetyl-4-hydroxy-6-methylpyran-2-one
InChI:
InChI=1S/C8H8O4/c1-4(9)8-5(2)12-7(11)3-6(8)10/h3,10H,1-2H3
InChI Key:
ZJUDDTBXZZUHKK-UHFFFAOYSA-N
SMILES:
Cc1oc(O)cc(=O)c1C(=O)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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