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115419-31-3 | Ethanone, 1-[4-(2-cyclopenten-1-yl)phenyl]-
CAS No: 115419-31-3 Catalog No: AG000FZ1 MDL No:
Product Description
Catalog Number:
AG000FZ1
Chemical Name:
Ethanone, 1-[4-(2-cyclopenten-1-yl)phenyl]-
CAS Number:
115419-31-3
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
1-(4-cyclopent-2-en-1-ylphenyl)ethanone
InChI:
InChI=1S/C13H14O/c1-10(14)11-6-8-13(9-7-11)12-4-2-3-5-12/h2,4,6-9,12H,3,5H2,1H3
InChI Key:
NPHHURYODSYUJX-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)C1CCC=C1
Properties
Complexity:
234
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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