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21034-24-2 | 2(3H)-Furanone, 4-(4-chlorobenzoyl)dihydro-
CAS No: 21034-24-2 Catalog No: AG002KPA MDL No:
Product Description
Catalog Number:
AG002KPA
Chemical Name:
2(3H)-Furanone, 4-(4-chlorobenzoyl)dihydro-
CAS Number:
21034-24-2
Molecular Formula:
C11H9ClO3
Molecular Weight:
224.6404
IUPAC Name:
4-(4-chlorobenzoyl)oxolan-2-one
InChI:
InChI=1S/C11H9ClO3/c12-9-3-1-7(2-4-9)11(14)8-5-10(13)15-6-8/h1-4,8H,5-6H2
InChI Key:
VQDBQMGPRBTKAK-UHFFFAOYSA-N
SMILES:
O=C1OCC(C1)C(=O)c1ccc(cc1)Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.64g/mol
Monoisotopic Mass:
224.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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