AG000KC2

1233233-76-5 | 2,2-Difluoro-3-hydroxypentanoic acid

AG000KC2

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CAS Number	1233233-76-5
Catalog Number	AG000KC2(AGN-PC-0WD27X)
Chemical Name	2,2-Difluoro-3-hydroxypentanoic acid
IUPAC Name	2,2-difluoro-3-hydroxypentanoic acid
InChI	InChI=1S/C5H8F2O3/c1-2-3(8)5(6,7)4(9)10/h3,8H,2H2,1H3,(H,9,10)
InChI Key	RLFXUHFTSMNNLS-UHFFFAOYSA-N
MDL Number	MFCD16749763
Molecular Formula	C5H8F2O3
Molecular Weight	154.1120
SMILES	CCC(O)C(F)(F)C(O)=O
Synonyms	2,2-Difluoro-3-hydroxypentanoic acid, 1233233-76-5, SCHEMBL7347552, DTXSID40710217, RLFXUHFTSMNNLS-UHFFFAOYSA-N, AKOS011685387, 2,2-difluoro-3-hydroxy-pentanoic acid, Pentanoic acid, 2,2-difluoro-3-hydroxy-,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.044g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	154.113g/mol
Monoisotopic Mass	154.044g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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