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116526-34-2 | Cyclopentanone, 3-(4-methoxyphenyl)-
CAS No: 116526-34-2 Catalog No: AG000CON MDL No:MFCD06659800
Product Description
Catalog Number:
AG000CON
Chemical Name:
Cyclopentanone, 3-(4-methoxyphenyl)-
CAS Number:
116526-34-2
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD06659800
IUPAC Name:
3-(4-methoxyphenyl)cyclopentan-1-one
InChI:
InChI=1S/C12H14O2/c1-14-12-6-3-9(4-7-12)10-2-5-11(13)8-10/h3-4,6-7,10H,2,5,8H2,1H3
InChI Key:
BXVGGHJBRCDSGU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CCC(=O)C1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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