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Home > Fluorides > 139301-21-6
139301-21-6 | 1,3-Propanediol, 2-(3-fluoropropyl)-
CAS No: 139301-21-6 Catalog No: AG001APA MDL No:
Product Description
Catalog Number:
AG001APA
Chemical Name:
1,3-Propanediol, 2-(3-fluoropropyl)-
CAS Number:
139301-21-6
Molecular Formula:
C6H13FO2
Molecular Weight:
136.1646
IUPAC Name:
2-(3-fluoropropyl)propane-1,3-diol
InChI:
InChI=1S/C6H13FO2/c7-3-1-2-6(4-8)5-9/h6,8-9H,1-5H2
InChI Key:
ALIOEWSAEJJWBA-UHFFFAOYSA-N
SMILES:
FCCCC(CO)CO
Properties
Complexity:
55
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.09g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
136.166g/mol
Monoisotopic Mass:
136.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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