1,2-Propanediol, 3,3,3-trifluoro-


Chemical Name: 1,2-Propanediol, 3,3,3-trifluoro-
CAS Number: 431-39-0
Product Number: AG00DKHL(AGN-PC-00Q40X)
Synonyms:
MDL No:
Molecular Formula: C3H5F3O2
Molecular Weight: 130.0658

Identification/Properties


Computed Properties
Molecular Weight:
130.07g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
130.024164g/mol
Monoisotopic Mass:
130.024164g/mol
Topological Polar Surface Area:
40.5Ų
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
69.4
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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