AG00DA7R

502509-05-9 | 2-Cyano-4-pyridine acetic acid

AG00DA7R

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CAS Number	502509-05-9
Catalog Number	AG00DA7R(AGN-PC-04Q5QE)
Chemical Name	2-Cyano-4-pyridine acetic acid
IUPAC Name	2-(2-cyanopyridin-4-yl)acetic acid
InChI	InChI=1S/C8H6N2O2/c9-5-7-3-6(1-2-10-7)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key	RUHXLBCLPMDMFS-UHFFFAOYSA-N
MDL Number	MFCD07367938
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	O=C(O)CC1=CC(C#N)=NC=C1
Synonyms	502509-05-9, 2-(2-Cyanopyridin-4-yl)acetic acid, 2-Cyano-4-pyridine acetic acid, AK140202, 2-Cyano-4-pyridineacetic acid, 2-Cyanopyridine-4-acetic acid, 4-Pyridineacetic acid,2-cyano-, CTK4J2298, DTXSID40646547, FCH855117, MFCD07367938, ZINC14984873, AKOS006286768, AB31454, DS-6982, KS-00000N08, (2-CYANOPYRIDIN-4-YL)ACETIC ACID, AC-14290, AJ-66242, BC207521, AX8074066, DB-071145, FT-0721866, ST24039188, 2-CYANO-4-PYRIDINEACETICACID,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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