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89524-29-8 | Cyclopentanone, 2-[1-(phenylmethoxy)propyl]-
CAS No: 89524-29-8 Catalog No: AG003ZSH MDL No:
Product Description
Catalog Number:
AG003ZSH
Chemical Name:
Cyclopentanone, 2-[1-(phenylmethoxy)propyl]-
CAS Number:
89524-29-8
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
2-(1-phenylmethoxypropyl)cyclopentan-1-one
InChI:
InChI=1S/C15H20O2/c1-2-15(13-9-6-10-14(13)16)17-11-12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3
InChI Key:
JBMYVGJXFWHGTK-UHFFFAOYSA-N
SMILES:
CCC(C1CCCC1=O)OCc1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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