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100692-30-6 | Benzene, [(1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl)methyl]-
CAS No: 100692-30-6 Catalog No: AG0002MY MDL No:
Product Description
Catalog Number:
AG0002MY
Chemical Name:
Benzene, [(1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl)methyl]-
CAS Number:
100692-30-6
Molecular Formula:
C17H22
Molecular Weight:
226.3566
IUPAC Name:
(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methylbenzene
InChI:
InChI=1S/C17H22/c1-12-13(2)15(4)17(5,14(12)3)11-16-9-7-6-8-10-16/h6-10H,11H2,1-5H3
InChI Key:
WXAXJIIKFAZYSN-UHFFFAOYSA-N
SMILES:
CC1=C(C)C(=C(C1(C)Cc1ccccc1)C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.172g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.363g/mol
Monoisotopic Mass:
226.172g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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