AG002IVA

207121-48-0 | L-Alanine, 3-sulfino-, hydrate (1:1)

AG002IVA

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CAS Number	207121-48-0
Catalog Number	AG002IVA(AGN-PC-0O7N0F)
Chemical Name	L-Alanine, 3-sulfino-, hydrate (1:1)
IUPAC Name	(2R)-2-amino-3-sulfinopropanoic acid;hydrate
InChI	InChI=1S/C3H7NO4S.H2O/c4-2(3(5)6)1-9(7)8;/h2H,1,4H2,(H,5,6)(H,7,8);1H2/t2-;/m0./s1
InChI Key	YQIXTMZYGQXTCZ-DKWTVANSSA-N
MDL Number	MFCD00150732
Molecular Formula	C3H9NO5S
Molecular Weight	171.1723
SMILES	[C@H](CS(=O)O)(C(O)=O)N.O
Synonyms	L-Cysteinesulfinic acid monohydrate, L-Cysteinesulfinic Acid, Monohydrate, 207121-48-0, SCHEMBL17513726, OR9977T, ZX-AT011310, MFCD00044889, AKOS024370926, CS-W017946, ACM207121480, AS-62983, L-Alanine, 3-sulfino-, hydrate (1:1), L-Cysteinesulfinic acid monohydrate, 99%, FT-0665426, ST51006991, (2R)-2-amino-3-sulfinopropanoic acid hydrate, (2R)-2-amino-3-sulfinopropanoic acid, hydrate, J-013537, 3-sulfino-L-alanine hydrate, L-CYSTEINESULFINICACIDMONOHYDRATE, (1R)-1-Amino-2-mercaptoethanesulfinic acid hydrate,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	171.020144g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	171.17g/mol
Monoisotopic Mass	171.020144g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	121Ų
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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number