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Home Other Building Blocks 2,5-DIMETHYLHEXANE

2,5-DIMETHYLHEXANE

CAS No.:
592-13-2
Catalog Number:
AG003G00
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003G00
Chemical Name:
2,5-DIMETHYLHEXANE
CAS Number:
592-13-2
MDL Number:
MFCD00008951
IUPAC Name:
2,5-dimethylhexane
InChI:
InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3
InChI Key:
UWNADWZGEHDQAB-UHFFFAOYSA-N
EC Number:
209-745-8
UNII:
PCS13D63P8
NSC Number:
74172
Properties
Complexity:
36  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.141g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.232g/mol
Monoisotopic Mass:
114.141g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
On the use of excess entropy scaling to describe single-molecule and collective dynamic properties of hydrocarbon isomer fluids. The journal of physical chemistry. B 20101216
Development of accurate classification method based on the analysis of volatile organic compounds from human exhaled air. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20080101
Properties