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136986-52-2 | Benzene, (3,4-dimethylcyclohexyl)-
CAS No: 136986-52-2 Catalog No: AG0012N5 MDL No:
Product Description
Catalog Number:
AG0012N5
Chemical Name:
Benzene, (3,4-dimethylcyclohexyl)-
CAS Number:
136986-52-2
Molecular Formula:
C14H20
Molecular Weight:
188.3086
IUPAC Name:
(3,4-dimethylcyclohexyl)benzene
InChI:
InChI=1S/C14H20/c1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChI Key:
PISLIQWUDONWNA-UHFFFAOYSA-N
SMILES:
CC1CCC(CC1C)c1ccccc1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.314g/mol
Monoisotopic Mass:
188.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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