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17312-57-1

17312-57-1 | Dodecane, 3-methyl-

CAS No: 17312-57-1 Catalog No: AG001YNG MDL No:

Product Description

Catalog Number:
AG001YNG
Chemical Name:
Dodecane, 3-methyl-
CAS Number:
17312-57-1
Molecular Formula:
C13H28
Molecular Weight:
184.3614
IUPAC Name:
3-methyldodecane
InChI:
InChI=1S/C13H28/c1-4-6-7-8-9-10-11-12-13(3)5-2/h13H,4-12H2,1-3H3
InChI Key:
GRJUENNHVNYCHD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(CC)C

Properties

Complexity:
86  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.219g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.367g/mol
Monoisotopic Mass:
184.219g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
7  

Literature

Title Journal
[Identification of volatile organic compounds in the manures of cow, hog and chicken by solid phase microextraction coupled with gas chromatography/mass spectrometry]. Se pu = Chinese journal of chromatography 20070501
[Microstructural characterization for pyrolysis hydrogenation fragments in polyethylene by pyrolysis hydrogenation gas chromatography/mass spectrometry]. Se pu = Chinese journal of chromatography 20060901

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