AG0074C9

4320-91-6 | 2H-1,2,3-Triazole-2-acetic acid

AG0074C9

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CAS Number	4320-91-6
Catalog Number	AG0074C9(AGN-PC-0434W3)
Chemical Name	2H-1,2,3-Triazole-2-acetic acid
IUPAC Name	2-(triazol-2-yl)acetic acid
InChI	InChI=1S/C4H5N3O2/c8-4(9)3-7-5-1-2-6-7/h1-2H,3H2,(H,8,9)
InChI Key	AUEJAOKPOPOGHM-UHFFFAOYSA-N
MDL Number	MFCD03840810
Molecular Formula	C4H5N3O2
Molecular Weight	127.1014
SMILES	O=C(O)CN1N=CC=N1
Synonyms	4320-91-6, 2H-1,2,3-triazole-2-acetic acid, 2H-1,2,3Triazole-2-acetic acid, 2-(2H-1,2,3-triazol-2-yl)acetic acid, 2H-1,2,3 TRIAZOLE-2-ACETIC ACID, 2H-1,2,3-Triazole-2-aceticacid, KSC235A2F, SCHEMBL908783, 2-(triazol-2-yl)acetic acid, 1,2,3-triazole-2-acetic acid, CTK1D5022, 1,2,3-triazol-2-ylacetic acid, DTXSID70634033, 2H-1,2,3Triazole-2-aceticacid, AUEJAOKPOPOGHM-UHFFFAOYSA-N, KS-000025YS, ZINC2513905, ANW-49276, MFCD03840810, 2H-1,2,3-triazole-2-ylacetic acid, AKOS006277576, AB16652, GS-4009, MCULE-7659501232, (2H-1,2,3-Triazol-2-yl)acetic acid, AJ-36913, AK-35148, BR-35148, AB0000276, DB-006137, TC-030417, 2H-1,2,3-TRIAZOL-2-YLACETIC ACID, 4CH-006090, FT-0688362, ST24032523, W6268, S-1032, Z1357774288, C4H5N3O2,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.038g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.103g/mol
Monoisotopic Mass	127.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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

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