AG003PRD

6132-05-4 | DISODIUM HYDROGEN CITRATE SESQUIHYDRATE

AG003PRD

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CAS Number	6132-05-4
Catalog Number	AG003PRD(AGN-PC-0T00HX)
Chemical Name	DISODIUM HYDROGEN CITRATE SESQUIHYDRATE
EC Number	612-119-0
IUPAC Name	disodium;2-(carboxymethyl)-2-hydroxybutanedioate;hydrate
InChI	InChI=1S/C6H8O7.2Na.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;1H2/q;2*+1;/p-2
InChI Key	XNZQCYSOYHAYII-UHFFFAOYSA-L
MDL Number	MFCD00036367
Molecular Formula	C6H8Na2O8
Molecular Weight	254.1025
SMILES	O=C([O-])CC(C(O)=O)(O)CC([O-])=O.[Na+].[Na+].O
Synonyms	Disodium hydrogen citrate sesquihydrate, 6132-05-4, MFCD00150445, sodium (S)-2-(carboxymethyl)-2-hydroxysuccinate hydrate, Citric acid disodium salt, Sodium citrate dibasic sesquihydrate, Disodium hydrogen citrate sesquihydrate, 99% 250g,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.001g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	254.102g/mol
Monoisotopic Mass	254.001g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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