AG004ZZW

822-82-2 | Isothiazole-4-carboxylic acid

AG004ZZW

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CAS Number	822-82-2
Catalog Number	AG004ZZW(AGN-PC-0NIXOE)
Chemical Name	Isothiazole-4-carboxylic acid
IUPAC Name	1,2-thiazole-4-carboxylic acid
InChI	InChI=1S/C4H3NO2S/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)
InChI Key	PCXTYKGTWQCNJI-UHFFFAOYSA-N
MDL Number	MFCD08704791
Molecular Formula	C4H3NO2S
Molecular Weight	129.1371
SMILES	OC(=O)C1=CSN=C1
Synonyms	isothiazole-4-carboxylic acid, 822-82-2, 4-CARBOXYISOTHIAZOLE, 4-isothiazolecarboxylic acid, 1,2-thiazole-4-carboxylic acid, CHEMBL393226, 4-isothiazolecarboxylic, 4-Isothiazolecarboxylicacid, isothiazole4-carboxylic acid, SCHEMBL199638, CTK3E6344, DTXSID00497956, PCXTYKGTWQCNJI-UHFFFAOYSA-N, CS-D0308, ANW-63353, BDBM50216532, CC0221, MFCD08704791, ZINC13534103, AKOS000649563, AB48586, ACN-025404, MP-0904, AJ-64081, AK-84534, DS-17448, AB0065692, ST2419437, TX-017656, 4CH-004630, Z5157, A840292, C4H3NO2S, 475112-25-5,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.988g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	129.133g/mol
Monoisotopic Mass	128.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number