AG0027H2

183304-68-9 | 1,2,3-Thiadiazole-5-carboxylic acid, 4-(hydroxymethyl)-

AG0027H2

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CAS Number	183304-68-9
Catalog Number	AG0027H2(AGN-PC-078TIC)
Chemical Name	1,2,3-Thiadiazole-5-carboxylic acid, 4-(hydroxymethyl)-
IUPAC Name	4-(hydroxymethyl)thiadiazole-5-carboxylic acid
InChI	InChI=1S/C4H4N2O3S/c7-1-2-3(4(8)9)10-6-5-2/h7H,1H2,(H,8,9)
InChI Key	SOLVBZNIJYRMPM-UHFFFAOYSA-N
MDL Number	MFCD11977675
Molecular Formula	C4H4N2O3S
Molecular Weight	160.1512
SMILES	OCC1=C(SN=N1)C(O)=O
Synonyms	4-(hydroxymethyl)-1,2,3-thiadiazole-5-carboxylic acid, 183304-68-9, AK-28241, 4-(hydroxymethyl)-5-thiadiazolecarboxylic acid, C4H4N2O3S, CTK0H1257, KS-00000HCZ, DTXSID20659418, 9602AA, ANW-66687, MFCD11977675, ZINC39060554, AKOS015897296, FCH1173500, ACM183304689, AJ-97802, DS-10935, AX8157987, TC-155432, FT-0645633, ST24043094, ST24046999, A812762, I09-0570, 1,2,3-Thiadiazole-5-carboxylicacid, 4-(hydroxymethyl)-, 1,2,3-Thiadiazole-5-carboxylicacid,4-(hydroxymethyl)-, 1,2,3-Thiadiazole-5-carboxylic acid, 4-(hydroxymethyl)-, 1,2,3-Thiadiazole-5-carboxylic acid, 4-(hydroxymethyl), 1,2,3-Thiadiazole-5-carboxylic acid, 4-(hydroxymethyl)- (9CI), ETHYL 4-(HYDROXYMETHYL)-1,2,3-THIADIAZOLE-5-CARBOXYLATE, 59944-62-6,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.994g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.147g/mol
Monoisotopic Mass	159.994g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

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

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