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Home Other Building Blocks 1,3-Octanediol

1,3-Octanediol

CAS No.:
23433-05-8
Catalog Number:
AG002N7W
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
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Product Description
Catalog Number:
AG002N7W
Chemical Name:
1,3-Octanediol
CAS Number:
23433-05-8
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
MDL Number:
MFCD01711163
IUPAC Name:
octane-1,3-diol
InChI:
InChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3
InChI Key:
DCTMXCOHGKSXIZ-UHFFFAOYSA-N
SMILES:
CCCCCC(CCO)O
EC Number:
607-232-7
Properties
Complexity:
64.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.131g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.23g/mol
Monoisotopic Mass:
146.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Matrix-assisted laser desorption/ionization mass spectrometric analysis of aliphatic biodegradable photoluminescent polymers using new ionic liquid matrices. Rapid communications in mass spectrometry : RCM 20110515
More than a protective group: synthesis and applications of a new chiral silane. Organic letters 20070913
Properties