AG001J1F

144163-65-5 | 2-Thiazolepropanoic acid

AG001J1F

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CAS Number	144163-65-5
Catalog Number	AG001J1F(AGN-PC-0KKO2F)
Chemical Name	2-Thiazolepropanoic acid
IUPAC Name	3-(1,3-thiazol-2-yl)propanoic acid
InChI	InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)
InChI Key	OJTQVDTVCPIZQH-UHFFFAOYSA-N
MDL Number	MFCD02683062
Molecular Formula	C6H7NO2S
Molecular Weight	157.1903
SMILES	O=C(O)CCC1=NC=CS1
Synonyms	3-(2-Thiazolyl)propionic acid, 144163-65-5, 3-(1,3-thiazol-2-yl)propanoic Acid, 2-Thiazolepropanoic acid, 3-(THIAZOL-2-YL)PROPANOIC ACID, 2-Thiazolepropanoicacid, 3-thiazol-2-yl-propionic acid, 3-(2-Thiazolyl)propoinic acid, 3-(2-Thiazolyl)propoinicacid, ACMC-1C5TE, AC1MC32E, AC1Q75AB, 3-thiazol-2-ylpropanoic acid, SCHEMBL992041, CTK0H4074, DTXSID60375261, OJTQVDTVCPIZQH-UHFFFAOYSA-N, ZINC2583422, ANW-47662, MFCD02683062, AKOS005146471, AC-6475, AN-9958, CS-W002963, QC-3922, RP22109, TRA0087799, VZ25953, AJ-43222, AS-39191, BR-47853, SC-43633, SY019802, AB0022311, DB-017836, ST2417351, TC-136407, AM20080334, FT-0084539, FT-0600778, W3145, EN300-50490, A-2458, MFCD02683062 (95+%), J-510550, I14-39270, Z802671494, C6H7NO2S, CID2760609, 2H-benzo[b][1,4]oxazin-3(4H)-one, A3123, 109066-05-9,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.02g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.187g/mol
Monoisotopic Mass	157.02g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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