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Home > Other Heterocycles > 987-07-5
987-07-5 | Bicyclo[3.1.0]hex-3-en-2-one, 1,3,4,5-tetraphenyl-
CAS No: 987-07-5 Catalog No: AG005U1A MDL No:
Product Description
Catalog Number:
AG005U1A
Chemical Name:
Bicyclo[3.1.0]hex-3-en-2-one, 1,3,4,5-tetraphenyl-
CAS Number:
987-07-5
Molecular Formula:
C30H22O
Molecular Weight:
398.4951
IUPAC Name:
1,3,4,5-tetraphenylbicyclo[3.1.0]hex-3-en-2-one
InChI:
InChI=1S/C30H22O/c31-28-26(22-13-5-1-6-14-22)27(23-15-7-2-8-16-23)29(24-17-9-3-10-18-24)21-30(28,29)25-19-11-4-12-20-25/h1-20H,21H2
InChI Key:
BJSCDWXKNKHGGJ-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C2(C1(C2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.167g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.505g/mol
Monoisotopic Mass:
398.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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