AG002R3U

25932-11-0 | Benzenesulfinic acid, sodium salt, hydrate (1:1:2)

AG002R3U

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CAS Number	25932-11-0
Catalog Number	AG002R3U(AGN-PC-0R1T67)
Chemical Name	Benzenesulfinic acid, sodium salt, hydrate (1:1:2)
IUPAC Name	sodium;benzenesulfinate;dihydrate
InChI	InChI=1S/C6H6O2S.Na.2H2O/c7-9(8)6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);;2*1H2/q;+1;;/p-1
InChI Key	MYXJYAIKMQJHIB-UHFFFAOYSA-M
MDL Number	MFCD00149638
Molecular Formula	C6H9NaO4S
Molecular Weight	200.1880
SMILES	O=S(C1=CC=CC=C1)[O-].[H]O[H].[H]O[H].[Na+]
Synonyms	SodiuM Benzenesulfinate Dihydrate, 25932-11-0, Benzenesulfinic acid, sodium salt, dihydrate, Sodium phenyl sulfinate dihydrate, Benzensulfinan sodny [Czech], Benzenesulfinic Acid Sodium Salt Dihydrate, Benzensulfinan sodny, sodium benzenesulfinate hydrate(1:1:2), ACMC-209gnh, PhSO2Na.2H2O, AC1Q1VLV, KSC556O7R, CTK4F6778, KS-00000ZXE, DTXSID10180600, MYXJYAIKMQJHIB-UHFFFAOYSA-M, ANW-25851, MFCD00149638, AKOS025310578, Benesulfinic acid sodium salt,dihydrate, Benesulfinic acid sodium salt, dihydrate, phenylsulfinic acid sodium salt dihydrate, LS-31191, AX8115564, RT-001557, FT-0622655, Benzenesulfinic acid,sodium salt, hydrate (1:1:2), C6H9NaO4S, C6H5O2S.Na.2H2O, C6-H5-O2-S.Na.2H2-O, AR-1L5036, CID213270, 3130-28-7,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.012g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	200.184g/mol
Monoisotopic Mass	200.012g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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