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88639-77-4 | 2H-Pyran-2-one, 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-6-methyl-
CAS No: 88639-77-4 Catalog No: AG0049EA MDL No:
Product Description
Catalog Number:
AG0049EA
Chemical Name:
2H-Pyran-2-one, 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-6-methyl-
CAS Number:
88639-77-4
Molecular Formula:
C16H15ClO4
Molecular Weight:
306.7409
IUPAC Name:
3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-6-methylpyran-2-one
InChI:
InChI=1S/C16H15ClO4/c1-9(18)7-13(11-3-5-12(17)6-4-11)15-14(19)8-10(2)21-16(15)20/h3-6,8,13,19H,7H2,1-2H3
InChI Key:
HZRXFLMNOJQAAE-UHFFFAOYSA-N
SMILES:
CC(=O)CC(c1c(O)cc(oc1=O)C)c1ccc(cc1)Cl
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.742g/mol
Monoisotopic Mass:
306.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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