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131984-21-9 | Cyclopentanone, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-
CAS No: 131984-21-9 Catalog No: AG001011 MDL No:
Product Description
Catalog Number:
AG001011
Chemical Name:
Cyclopentanone, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-
CAS Number:
131984-21-9
Molecular Formula:
C14H15ClO
Molecular Weight:
234.7213
IUPAC Name:
5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one
InChI:
InChI=1S/C14H15ClO/c1-14(2)8-7-11(13(14)16)9-10-3-5-12(15)6-4-10/h3-6,9H,7-8H2,1-2H3
InChI Key:
DHZKFHRKOKWCKA-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccc(cc2)Cl)CCC1(C)C
EC Number:
410-440-9
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.081g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.723g/mol
Monoisotopic Mass:
234.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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