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3-METHYLHEXANE

CAS No.:
589-34-4
Catalog Number:
AG003JRF
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003JRF
Chemical Name:
3-METHYLHEXANE
CAS Number:
589-34-4
MDL Number:
MFCD00009408
IUPAC Name:
3-methylhexane
InChI:
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
InChI Key:
VLJXXKKOSFGPHI-UHFFFAOYSA-N
EC Number:
209-643-3
NSC Number:
73937
UN Number:
1206
Properties
Complexity:
31  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.125g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.205g/mol
Monoisotopic Mass:
100.125g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Personal exposure to specific volatile organic compounds and acute changes in lung function and heart rate variability among urban cyclists. Environmental research 20121001
Periphery-substituted [4+6] salicylbisimine cage compounds with exceptionally high surface areas: influence of the molecular structure on nitrogen sorption properties. Chemistry (Weinheim an der Bergstrasse, Germany) 20120116
Chemical properties of air pollutants and cause-specific hospital admissions among the elderly in Atlanta, Georgia. Environmental health perspectives 20111001
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
Gas chromatographic enantioseparation of unfunctionalized chiral alkanes: a challenge in separation science (overview, state of the art, and perspectives). Chirality 20090101
Study of the thermal diffusion behavior of alkane/benzene mixtures by thermal diffusion forced rayleigh scattering experiments and lattice model calculations. The journal of physical chemistry. B 20061228
[Allelopathy and chemical constituents of Ligularia virgaurea volatile]. Ying yong sheng tai xue bao = The journal of applied ecology 20051001
Properties