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89610-94-6 | 1,3,5-Cycloheptatriene, 7-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 89610-94-6 Catalog No: AG003WTH MDL No:
Product Description
Catalog Number:
AG003WTH
Chemical Name:
1,3,5-Cycloheptatriene, 7-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
89610-94-6
Molecular Formula:
C17H20
Molecular Weight:
224.3407
IUPAC Name:
7-(4-tert-butylphenyl)cyclohepta-1,3,5-triene
InChI:
InChI=1S/C17H20/c1-17(2,3)16-12-10-15(11-13-16)14-8-6-4-5-7-9-14/h4-14H,1-3H3
InChI Key:
IWHDOMOJQAWZDS-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C1C=CC=CC=C1)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.347g/mol
Monoisotopic Mass:
224.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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