AG003648

21810-34-4 | Potassium 6-hydroxyhexanoate

AG003648

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CAS Number	21810-34-4
Catalog Number	AG003648(AGN-PC-047HII)
Chemical Name	Potassium 6-hydroxyhexanoate
EC Number	919-785-4
IUPAC Name	potassium;6-hydroxyhexanoate
InChI	InChI=1S/C6H12O3.K/c7-5-3-1-2-4-6(8)9;/h7H,1-5H2,(H,8,9);/q;+1/p-1
InChI Key	PMNSIPXEFSYNKZ-UHFFFAOYSA-M
MDL Number	MFCD27920725
Molecular Formula	C6H11KO3
Molecular Weight	170.2480
SMILES	OCCCCCC(=O)[O-].[K+]
Synonyms	Potassium 6-hydroxyhexanoate, 21810-34-4, AK142914, potassium 6-hydroxycaproate, SCHEMBL7703263, KS-00000RXR, PMNSIPXEFSYNKZ-UHFFFAOYSA-M, MFCD27920725, AKOS022185859, 6-Hydroxyhexanoic acid, potassium salt, SC-82416, AX8267476, FT-0699878,

Complexity	85.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.035g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.249g/mol
Monoisotopic Mass	170.035g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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