Home Other Building Blocks 2-(3,5-dimethylphenyl)cyclopentan-1-one

2-(3,5-dimethylphenyl)cyclopentan-1-one

CAS No.:
634603-16-0
Catalog Number:
AG01BB1V
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
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Product Description
Catalog Number:
AG01BB1V
Chemical Name:
2-(3,5-dimethylphenyl)cyclopentan-1-one
CAS Number:
634603-16-0
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
MDL Number:
MFCD16824653
IUPAC Name:
2-(3,5-dimethylphenyl)cyclopentan-1-one
InChI:
InChI=1S/C13H16O/c1-9-6-10(2)8-11(7-9)12-4-3-5-13(12)14/h6-8,12H,3-5H2,1-2H3
InChI Key:
SSCFSWPCUPNIJY-UHFFFAOYSA-N
SMILES:
O=C1CCCC1c1cc(C)cc(c1)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties