AG008PMX

76686-84-5 | 3-(1H-1,2,4-Triazol-1-yl)propanoic acid

AG008PMX

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CAS Number	76686-84-5
Catalog Number	AG008PMX(AGN-PC-0JSZOW)
Chemical Name	3-(1H-1,2,4-Triazol-1-yl)propanoic acid
IUPAC Name	3-(1,2,4-triazol-1-yl)propanoic acid
InChI	InChI=1S/C5H7N3O2/c9-5(10)1-2-8-4-6-3-7-8/h3-4H,1-2H2,(H,9,10)
InChI Key	KIJGYTNIFKJHJQ-UHFFFAOYSA-N
MDL Number	MFCD02932735
Molecular Formula	C5H7N3O2
Molecular Weight	141.1280
SMILES	OC(=O)CCN1C=NC=N1
Synonyms	3-(1H-1,2,4-Triazol-1-yl)propanoic acid, 76686-84-5, 3-[1,2,4]Triazol-1-yl-propionic acid, 3-(1,2,4-triazol-1-yl)propanoic acid, 1H-1,2,4-Triazole-1-propanoic acid, 1,2,4-Triazole-1-propionic acid, 1H-1,2,4-Triazole-1-propanoicacid, KIJGYTNIFKJHJQ-UHFFFAOYSA-N, 3-(1,2,4-triazol-1-yl)-propionic acid, EC-000.1979, 3-(1,2,4-triazolyl)propanoic acid, BAS 09717459, AC1LBXE1, AC1Q5WDW, ACMC-209p5h, AC1Q75LF, AC1Q75LG, SCHEMBL7197057, CHEMBL3133888, CTK2H6854, KS-00002AIW, DTXSID20340591, ZINC128315, ALBB-016473, BCP18144, ANW-36867, BBL010699, KM1787, MFCD02932735, SBB007386, STK723958, AKOS000263942, MCULE-5526368399, PS-5885, SDCCGMLS-0065736.P001, AC-14370, AJ-12006, ST037483, 1-Propanoic acid, 1H-1,2,4-triazolyl-, 1H-[1,2,4]TRIAZOLE-1-propanoic acid, 3-(1,2,4-triazole-1-yl)-propionic acid, AB0065937, DB-021562, TR-032289, 3-(1h-1,2,4-triazol-1-yl)propionic acid, BB 0219192, CS-0071091, FT-0641601, V7679, EN300-26147, VU0421894-2, 3-(1H-1,2,4-Triazol-1-yl)propanoic acid #, 1H - 1,2,4 - Triazole - 1 - propanoic acid, A838795, I04-3428, 3-(1H-1,2,4-Triazol-1-yl)propanoic acid, AldrichCPR, F3083-0333, Z221429940, A2351/0099306, C5H7N3O2, AR-1C3226, CID565945, 77503-16-3,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.054g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	141.13g/mol
Monoisotopic Mass	141.054g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68A^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-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number