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13362-52-2

13362-52-2 | 1,13-Tridecanediol

CAS No: 13362-52-2 Catalog No: AG003853 MDL No:MFCD00482067

Product Description

Catalog Number:
AG003853
Chemical Name:
1,13-Tridecanediol
CAS Number:
13362-52-2
Molecular Formula:
C13H28O2
Molecular Weight:
216.3602
MDL Number:
MFCD00482067
IUPAC Name:
tridecane-1,13-diol
InChI:
InChI=1S/C13H28O2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h14-15H,1-13H2
InChI Key:
HCEPYODGJFPWOI-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCO

Properties

Complexity:
92.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.209g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.365g/mol
Monoisotopic Mass:
216.209g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Literature

Title Journal
Synthesis of omega-hydroxy carboxylic acids and alpha,omega-dimethyl ketones using alpha,omega-diols as alkylating agents. The Journal of organic chemistry 20100305

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