AG003UED

143174-36-1 | Sodium Trimethylacetate Hydrate

AG003UED

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CAS Number	143174-36-1
Catalog Number	AG003UED(AGN-PC-04738R)
Chemical Name	Sodium Trimethylacetate Hydrate
IUPAC Name	sodium;2,2-dimethylpropanoate;hydrate
InChI	InChI=1S/C5H10O2.Na.H2O/c1-5(2,3)4(6)7;;/h1-3H3,(H,6,7);;1H2/q;+1;/p-1
InChI Key	OXKVPNMBQUHJHF-UHFFFAOYSA-M
MDL Number	MFCD00064202
Molecular Formula	C5H11NaO3
Molecular Weight	142.1288
SMILES	O=C([O-])C(C)(C)C.[H]O[H].[Na+]
Synonyms	Sodium trimethylacetate hydrate, 143174-36-1, sodium pivalate hydrate, AK208709, Sodium pivalate hydrate, 99%, Propanoic acid, 2,2-dimethyl-, sodium salt, hydrate, ACMC-20ajn9, SodiumTrimethylacetateHydrate, C5H9O2.Na.H2O, SCHEMBL3751460, CTK8C5422, KS-00000CMT, DTXSID20635414, 7340AJ, MFCD00150782, Sodium trimethylacetate hydrate, 99%, AKOS015903886, TRA0053389, Trimethylacetic acid sodium salt hydrate, SY011635, RT-024189, FT-0643355, MFCD00150782 (99%), K-4591, Sodium 2,2-dimethylpropanoate--water (1/1/1), I14-17734,

Complexity	82.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.061g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.13g/mol
Monoisotopic Mass	142.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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