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26131-82-8 | 2-Cyclopenten-1-one, 5-methyl-3-phenyl-
CAS No: 26131-82-8 Catalog No: AG002RTA MDL No:
Product Description
Catalog Number:
AG002RTA
Chemical Name:
2-Cyclopenten-1-one, 5-methyl-3-phenyl-
CAS Number:
26131-82-8
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
IUPAC Name:
5-methyl-3-phenylcyclopent-2-en-1-one
InChI:
InChI=1S/C12H12O/c1-9-7-11(8-12(9)13)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChI Key:
HYTOBZXFHCZOEC-UHFFFAOYSA-N
SMILES:
CC1CC(=CC1=O)c1ccccc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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