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823792-61-6 | 2H-Pyran-2-one, 3-[(2-chlorocyclopropyl)carbonyl]-4-hydroxy-6-methyl-
CAS No: 823792-61-6 Catalog No: AG004Y98 MDL No:
Product Description
Catalog Number:
AG004Y98
Chemical Name:
2H-Pyran-2-one, 3-[(2-chlorocyclopropyl)carbonyl]-4-hydroxy-6-methyl-
CAS Number:
823792-61-6
Molecular Formula:
C10H9ClO4
Molecular Weight:
228.6291
IUPAC Name:
3-(2-chlorocyclopropanecarbonyl)-4-hydroxy-6-methylpyran-2-one
InChI:
InChI=1S/C10H9ClO4/c1-4-2-7(12)8(10(14)15-4)9(13)5-3-6(5)11/h2,5-6,12H,3H2,1H3
InChI Key:
HRULWCOPUPZMRD-UHFFFAOYSA-N
SMILES:
ClC1CC1C(=O)c1c(O)cc(oc1=O)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.628g/mol
Monoisotopic Mass:
228.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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