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124347-07-5

124347-07-5 | Decanoic acid, 2-hexyl-3-hydroxy-

CAS No: 124347-07-5 Catalog No: AG000LWM MDL No:

Product Description

Catalog Number:
AG000LWM
Chemical Name:
Decanoic acid, 2-hexyl-3-hydroxy-
CAS Number:
124347-07-5
Molecular Formula:
C16H32O3
Molecular Weight:
272.4235
IUPAC Name:
2-hexyl-3-hydroxydecanoic acid
InChI:
InChI=1S/C16H32O3/c1-3-5-7-9-11-13-15(17)14(16(18)19)12-10-8-6-4-2/h14-15,17H,3-13H2,1-2H3,(H,18,19)
InChI Key:
MAJPNCZLAWPPTG-UHFFFAOYSA-N
SMILES:
CCCCCCCC(C(C(=O)O)CCCCCC)O

Properties

Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.235g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.429g/mol
Monoisotopic Mass:
272.235g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

Literature

Title Journal
Functional characterization of an NADPH dependent 2-alkyl-3-ketoalkanoic acid reductase involved in olefin biosynthesis in Stenotrophomonas maltophilia. Biochemistry 20111108
Enhanced biodegradation of diesel oil by a newly identified Rhodococcus baikonurensis EN3 in the presence of mycolic acid. Journal of applied microbiology 20060201

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