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86921-82-6 | 3-(4-METHYLPHENYL)CYCLOPENTANONE
CAS No: 86921-82-6 Catalog No: AG004LA1 MDL No:MFCD06659803
Product Description
Catalog Number:
AG004LA1
Chemical Name:
3-(4-METHYLPHENYL)CYCLOPENTANONE
CAS Number:
86921-82-6
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD06659803
IUPAC Name:
3-(4-methylphenyl)cyclopentan-1-one
InChI:
InChI=1S/C12H14O/c1-9-2-4-10(5-3-9)11-6-7-12(13)8-11/h2-5,11H,6-8H2,1H3
InChI Key:
FVEIGRRGQJZYTD-UHFFFAOYSA-N
SMILES:
O=C1CCC(C1)c1ccc(cc1)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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