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17733-69-6 | Benzene, (3-methylcyclohexyl)-
CAS No: 17733-69-6 Catalog No: AG00259H MDL No:
Product Description
Catalog Number:
AG00259H
Chemical Name:
Benzene, (3-methylcyclohexyl)-
CAS Number:
17733-69-6
Molecular Formula:
C13H18
Molecular Weight:
174.2820
IUPAC Name:
(3-methylcyclohexyl)benzene
InChI:
InChI=1S/C13H18/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChI Key:
UXXPWMSRTKKHNF-UHFFFAOYSA-N
SMILES:
CC1CCCC(C1)c1ccccc1
NSC Number:
157713
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.287g/mol
Monoisotopic Mass:
174.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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