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1601-09-8 | Methanone, phenyl(2-phenyl-2-cyclopenten-1-yl)-
CAS No: 1601-09-8 Catalog No: AG001RO3 MDL No:
Product Description
Catalog Number:
AG001RO3
Chemical Name:
Methanone, phenyl(2-phenyl-2-cyclopenten-1-yl)-
CAS Number:
1601-09-8
Molecular Formula:
C18H16O
Molecular Weight:
248.3190
IUPAC Name:
phenyl-(2-phenylcyclopent-2-en-1-yl)methanone
InChI:
InChI=1S/C18H16O/c19-18(15-10-5-2-6-11-15)17-13-7-12-16(17)14-8-3-1-4-9-14/h1-6,8-12,17H,7,13H2
InChI Key:
MLJGTOVDVQNNRY-UHFFFAOYSA-N
SMILES:
O=C(C1CCC=C1c1ccccc1)c1ccccc1
NSC Number:
2823
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.12g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.325g/mol
Monoisotopic Mass:
248.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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