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823785-41-7 | Cyclopentanone, 2-[(2-methylphenyl)methylene]-, (2E)-
CAS No: 823785-41-7 Catalog No: AG0053GY MDL No:
Product Description
Catalog Number:
AG0053GY
Chemical Name:
Cyclopentanone, 2-[(2-methylphenyl)methylene]-, (2E)-
CAS Number:
823785-41-7
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
2-[(2-methylphenyl)methylidene]cyclopentan-1-one
InChI:
InChI=1S/C13H14O/c1-10-5-2-3-6-11(10)9-12-7-4-8-13(12)14/h2-3,5-6,9H,4,7-8H2,1H3
InChI Key:
RWKHJIWMKSKZJI-UHFFFAOYSA-N
SMILES:
O=C1CCC/C/1=C\c1ccccc1C
Properties
Complexity:
252
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:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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