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138054-67-8

138054-67-8 | Bicyclo[4.2.1]nona-2,4,7-triene, 7,8-bis(4-methylphenyl)-

CAS No: 138054-67-8 Catalog No: AG0017W6 MDL No:

Product Description

Catalog Number:
AG0017W6
Chemical Name:
Bicyclo[4.2.1]nona-2,4,7-triene, 7,8-bis(4-methylphenyl)-
CAS Number:
138054-67-8
Molecular Formula:
C23H22
Molecular Weight:
298.4208
IUPAC Name:
7,8-bis(4-methylphenyl)bicyclo[4.2.1]nona-2,4,7-triene
InChI:
InChI=1S/C23H22/c1-16-7-11-18(12-8-16)22-20-5-3-4-6-21(15-20)23(22)19-13-9-17(2)10-14-19/h3-14,20-21H,15H2,1-2H3
InChI Key:
QNPCHSGWGJTGIY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=C(C2CC1C=CC=C2)c1ccc(cc1)C

Properties

Complexity:
458  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.172g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.429g/mol
Monoisotopic Mass:
298.172g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  

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