CAS 2516-99-6 | Propanoic acid, 3,3,3-trifluoro- | CAS Number 2516-99-6

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2516-99-6 | Propanoic acid, 3,3,3-trifluoro-

CAS No: 2516-99-6 Catalog No: AG002QP0 MDL No:MFCD00153292

Product Description

Catalog Number:

AG002QP0

Chemical Name:

Propanoic acid, 3,3,3-trifluoro-

CAS Number:

2516-99-6

Molecular Formula:

C3H3F3O2

Molecular Weight:

128.0499

MDL Number:

MFCD00153292

IUPAC Name:

3,3,3-trifluoropropanoic acid

InChI:

InChI=1S/C3H3F3O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8)

InChI Key:

KSNKQSPJFRQSEI-UHFFFAOYSA-N

SMILES:

OC(=O)CC(F)(F)F

Properties

Complexity:

95.2

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

128.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

128.05g/mol

Monoisotopic Mass:

128.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Biotransformation of trans-1,1,1,3-tetrafluoropropene (HFO-1234ze).	Toxicology and applied pharmacology 20090915
On the computation and contribution of conductivity in molecular ionic liquids.	The Journal of chemical physics 20080407
A [2 + 2] cycloaddition route to dimethylaminomethylene vinamidinium salts.	Organic letters 20020822
Biotransformation of 1,1,1,3,3-Pentafluoropropane (HFC-245fa).	Chemical research in toxicology 20020501