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Isopropylcyclohexane

CAS No.:
696-29-7
Catalog Number:
AG003R59
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003R59
Chemical Name:
Isopropylcyclohexane
CAS Number:
696-29-7
MDL Number:
MFCD00001480
IUPAC Name:
propan-2-ylcyclohexane
InChI:
InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChI Key:
GWESVXSMPKAFAS-UHFFFAOYSA-N
EC Number:
211-792-4
NSC Number:
73963
UN Number:
3295
Properties
Complexity:
68.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.141g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.243g/mol
Monoisotopic Mass:
126.141g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Molecular dynamics simulations of structure and dynamics of organic molecular crystals. Physical chemistry chemical physics : PCCP 20101207
Rate constants of nine C6-C9 alkanes with OH from 230 to 379 K: chemical tracers for [OH]. The journal of physical chemistry. A 20090430
Properties