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155325-48-7 | Cyclopentanone, 3-(2-methoxyphenyl)-, (3S)-
CAS No: 155325-48-7 Catalog No: AG001NTK MDL No:
Product Description
Catalog Number:
AG001NTK
Chemical Name:
Cyclopentanone, 3-(2-methoxyphenyl)-, (3S)-
CAS Number:
155325-48-7
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
(3S)-3-(2-methoxyphenyl)cyclopentan-1-one
InChI:
InChI=1S/C12H14O2/c1-14-12-5-3-2-4-11(12)9-6-7-10(13)8-9/h2-5,9H,6-8H2,1H3/t9-/m0/s1
InChI Key:
MOUCCUJQVSNBQT-VIFPVBQESA-N
SMILES:
COc1ccccc1[C@H]1CCC(=O)C1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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