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Home > Other Heterocycles > 87969-93-5
87969-93-5 | Bicyclo[4.1.0]hept-2-ene, 7,7-bis(2,4,6-trimethylphenyl)-
CAS No: 87969-93-5 Catalog No: AG004IFH MDL No:
Product Description
Catalog Number:
AG004IFH
Chemical Name:
Bicyclo[4.1.0]hept-2-ene, 7,7-bis(2,4,6-trimethylphenyl)-
CAS Number:
87969-93-5
Molecular Formula:
C25H30
Molecular Weight:
330.5057
IUPAC Name:
7,7-bis(2,4,6-trimethylphenyl)bicyclo[4.1.0]hept-2-ene
InChI:
InChI=1S/C25H30/c1-15-11-17(3)23(18(4)12-15)25(21-9-7-8-10-22(21)25)24-19(5)13-16(2)14-20(24)6/h7,9,11-14,21-22H,8,10H2,1-6H3
InChI Key:
HCOBPWOYVJFLKA-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C1(C2C1CCC=C2)c1c(C)cc(cc1C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.235g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.515g/mol
Monoisotopic Mass:
330.235g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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