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771-03-9 | 2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-
CAS No: 771-03-9 Catalog No: AG00566F MDL No:MFCD00006634
Product Description
Catalog Number:
AG00566F
Chemical Name:
2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-
CAS Number:
771-03-9
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD00006634
IUPAC Name:
3-acetyl-4-hydroxy-6-methylpyran-2-one
InChI:
InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3
InChI Key:
PKLPQOJFHFGVBS-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(=O)o1)C(=O)C
EC Number:
212-227-4
UNII:
2KAG279R6R
NSC Number:
139150
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:
1
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