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137824-18-1 | 2-Cyclopenten-1-one, 5-(2-oxo-2-phenylethyl)-
CAS No: 137824-18-1 Catalog No: AG0013X6 MDL No:
Product Description
Catalog Number:
AG0013X6
Chemical Name:
2-Cyclopenten-1-one, 5-(2-oxo-2-phenylethyl)-
CAS Number:
137824-18-1
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
5-phenacylcyclopent-2-en-1-one
InChI:
InChI=1S/C13H12O2/c14-12-8-4-7-11(12)9-13(15)10-5-2-1-3-6-10/h1-6,8,11H,7,9H2
InChI Key:
HJZDBRXPUMQMDO-UHFFFAOYSA-N
SMILES:
O=C1C=CCC1CC(=O)c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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