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67654-21-1 | Bicyclo[4.2.0]octa-2,4,7-triene, 2-methyl-3,4,5-triphenyl-
CAS No: 67654-21-1 Catalog No: AG005QXJ MDL No:
Product Description
Catalog Number:
AG005QXJ
Chemical Name:
Bicyclo[4.2.0]octa-2,4,7-triene, 2-methyl-3,4,5-triphenyl-
CAS Number:
67654-21-1
Molecular Formula:
C27H22
Molecular Weight:
346.4636
IUPAC Name:
2-methyl-3,4,5-triphenylbicyclo[4.2.0]octa-2,4,7-triene
InChI:
InChI=1S/C27H22/c1-19-23-17-18-24(23)26(21-13-7-3-8-14-21)27(22-15-9-4-10-16-22)25(19)20-11-5-2-6-12-20/h2-18,23-24H,1H3
InChI Key:
HQHWUFZFJGJYEE-UHFFFAOYSA-N
SMILES:
CC1=C(c2ccccc2)C(=C(C2C1C=C2)c1ccccc1)c1ccccc1
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.172g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.473g/mol
Monoisotopic Mass:
346.172g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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