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149-31-5

149-31-5 | 1,3-Pentanediol, 2-methyl-

CAS No: 149-31-5 Catalog No: AG001LCA MDL No:MFCD01740992

Product Description

Catalog Number:
AG001LCA
Chemical Name:
1,3-Pentanediol, 2-methyl-
CAS Number:
149-31-5
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
MDL Number:
MFCD01740992
IUPAC Name:
2-methylpentane-1,3-diol
InChI:
InChI=1S/C6H14O2/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3
InChI Key:
SPXWGAHNKXLXAP-UHFFFAOYSA-N
SMILES:
CCC(C(CO)C)O
EC Number:
604-684-7
NSC Number:
1251

Properties

Complexity:
54.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.099g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Literature

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Age related alterations of adrenoreceptor activity in erythrocyte membrane. Georgian medical news 20110601
Solvents, in which ionic surfactants do not affect the zeta potential. Journal of colloid and interface science 20100201
Resistance to disinfectants in epidemiologically defined clinical isolates of Acinetobacter baumannii. The Journal of hospital infection 20070601
Kinetic model of 1,3-specific triacylglycerols alcoholysis catalyzed by lipases. Journal of biotechnology 20070120
Solvent exchange in thermally stable resorcinarene nanotubes. Chemistry (Weinheim an der Bergstrasse, Germany) 20060524
The analysis of 1-propanol and 2-propanol in humid air samples using selected ion flow tube mass spectrometry. Rapid communications in mass spectrometry : RCM 20060101
Activity variation in alcohol dehydrogenase paralogs is associated with adaptation to cactus host use in cactophilic Drosophila. Molecular ecology 20050601
Alcohol-mediated error-prone PCR. DNA and cell biology 20041101
Effect of eight solvents on ethanol analysis by Dräger 7110 Evidential breath analyzer. Journal of forensic sciences 20040901
Volatile compounds produced in cheese by Enterobacteriaceae strains of dairy origin. Journal of food protection 20040301
Limited efficacy of alcohol-based hand gels. Lancet (London, England) 20020427
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