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Home > Other Heterocycles > 80949-71-9
80949-71-9 | Bicyclo[4.1.0]hept-2-ene, 3-methyl-1,2-diphenyl-
CAS No: 80949-71-9 Catalog No: AG005HV2 MDL No:
Product Description
Catalog Number:
AG005HV2
Chemical Name:
Bicyclo[4.1.0]hept-2-ene, 3-methyl-1,2-diphenyl-
CAS Number:
80949-71-9
Molecular Formula:
C20H20
Molecular Weight:
260.3728
IUPAC Name:
3-methyl-1,2-diphenylbicyclo[4.1.0]hept-2-ene
InChI:
InChI=1S/C20H20/c1-15-12-13-18-14-20(18,17-10-6-3-7-11-17)19(15)16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3
InChI Key:
XUWABMUEEFTBNB-UHFFFAOYSA-N
SMILES:
CC1=C(c2ccccc2)C2(C(CC1)C2)c1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.38g/mol
Monoisotopic Mass:
260.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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