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139722-23-9 | 2-Cyclopenten-1-one, 2,3,5,5-tetraphenyl-
CAS No: 139722-23-9 Catalog No: AG001BM3 MDL No:
Product Description
Catalog Number:
AG001BM3
Chemical Name:
2-Cyclopenten-1-one, 2,3,5,5-tetraphenyl-
CAS Number:
139722-23-9
Molecular Formula:
C29H22O
Molecular Weight:
386.4844
IUPAC Name:
2,3,5,5-tetraphenylcyclopent-2-en-1-one
InChI:
InChI=1S/C29H22O/c30-28-27(23-15-7-2-8-16-23)26(22-13-5-1-6-14-22)21-29(28,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChI Key:
XZZRSJWDXPMNNJ-UHFFFAOYSA-N
SMILES:
O=C1C(=C(CC1(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.167g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.494g/mol
Monoisotopic Mass:
386.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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