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87506-06-7 | 2-Cyclopenten-1-one, 2-(4-chlorophenyl)-3-methyl-
CAS No: 87506-06-7 Catalog No: AG004DMZ MDL No:
Product Description
Catalog Number:
AG004DMZ
Chemical Name:
2-Cyclopenten-1-one, 2-(4-chlorophenyl)-3-methyl-
CAS Number:
87506-06-7
Molecular Formula:
C12H11ClO
Molecular Weight:
206.6681
IUPAC Name:
2-(4-chlorophenyl)-3-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C12H11ClO/c1-8-2-7-11(14)12(8)9-3-5-10(13)6-4-9/h3-6H,2,7H2,1H3
InChI Key:
OIHCCUFBBJSVFK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1=C(C)CCC1=O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.669g/mol
Monoisotopic Mass:
206.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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