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1450-65-3 | Cyclopentanone, 2-methyl-5-(phenylmethylene)-, (5E)-
CAS No: 1450-65-3 Catalog No: AG001KGD MDL No:
Product Description
Catalog Number:
AG001KGD
Chemical Name:
Cyclopentanone, 2-methyl-5-(phenylmethylene)-, (5E)-
CAS Number:
1450-65-3
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
2-benzylidene-5-methylcyclopentan-1-one
InChI:
InChI=1S/C13H14O/c1-10-7-8-12(13(10)14)9-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChI Key:
RCJDUFCDDWCQAA-UHFFFAOYSA-N
SMILES:
CC1CC/C(=C\c2ccccc2)/C1=O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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