AG000MTJ

124870-33-3 | 4-Pyridineacetic acid, 3-cyano-, methyl ester

AG000MTJ

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CAS Number	124870-33-3
Catalog Number	AG000MTJ(AGN-PC-09RZRU)
Chemical Name	4-Pyridineacetic acid, 3-cyano-, methyl ester
IUPAC Name	methyl 2-(3-cyanopyridin-4-yl)acetate
InChI	InChI=1S/C9H8N2O2/c1-13-9(12)4-7-2-3-11-6-8(7)5-10/h2-3,6H,4H2,1H3
InChI Key	NWUXXKOZANWHAK-UHFFFAOYSA-N
MDL Number	MFCD11847770
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	O=C(OC)CC1=C(C#N)C=NC=C1
Synonyms	METHYL 2-(3-CYANOPYRIDIN-4-YL)ACETATE, 124870-33-3, 4-Pyridineacetic acid, 3-cyano-, methyl ester, AK-59656, SCHEMBL794054, CTK8B4938, DTXSID80697518, NWUXXKOZANWHAK-UHFFFAOYSA-N, ANW-46769, MFCD11847770, RW3094, ZINC77028145, AKOS015998634, FCH1138359, LS20108, QC-2781, KS-00000P19, DS-16333, SC-24353, AB0035302, AJ-122396, AX8216867, TC-135514, 4CH-010793, ST24025162, X9609, (3-cyano-pyridine-4-yl)-acetic acid methyl ester, C-58396, C9H8N2O2, Methyl (3-cyanopyridin-4-yl)acetate, Methyl2-(3-cyanopyridin-4-yl)acetate,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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