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88069-11-8 | 2H-Pyran-2-one, 4-hydroxy-5-(1-oxobutyl)-6-propyl-
CAS No: 88069-11-8 Catalog No: AG004KQT MDL No:
Product Description
Catalog Number:
AG004KQT
Chemical Name:
2H-Pyran-2-one, 4-hydroxy-5-(1-oxobutyl)-6-propyl-
CAS Number:
88069-11-8
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
5-butanoyl-4-hydroxy-6-propylpyran-2-one
InChI:
InChI=1S/C12H16O4/c1-3-5-8(13)12-9(14)7-11(15)16-10(12)6-4-2/h7,14H,3-6H2,1-2H3
InChI Key:
GZYXHAHVXGWYNC-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1c(O)cc(=O)oc1CCC
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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