AG004Y4N

827616-51-3 | 4-Cyanonicotinic acid

AG004Y4N

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CAS Number	827616-51-3
Catalog Number	AG004Y4N(AGN-PC-0NI0F8)
Chemical Name	4-Cyanonicotinic acid
IUPAC Name	4-cyanopyridine-3-carboxylic acid
InChI	InChI=1S/C7H4N2O2/c8-3-5-1-2-9-4-6(5)7(10)11/h1-2,4H,(H,10,11)
InChI Key	JAKDLDWUKSYREG-UHFFFAOYSA-N
MDL Number	MFCD18256027
Molecular Formula	C7H4N2O2
Molecular Weight	148.1189
SMILES	O=C(O)C1=CN=CC=C1C#N
Synonyms	4-Cyanonicotinic acid, 827616-51-3, 4-Cyanopyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 4-cyano-, SCHEMBL4619119, CTK3E7323, DTXSID80479396, 4-Cyano-3-pyridinecarboxylic acid, 3-pyridinecarboxylic acid,4-cyano-, 3-Pyridinecarboxylicacid, 4-cyano-, MFCD18256027, ZINC39140306, AKOS006385655, MCULE-9818500214, QC-8310, AJ-98739, AS-34249, SY026696, AB0042968, CS-0050878, FT-0753534, Z0867, MFCD18256027 (95%), Q-8854, Z1814381716, C7H4N2O2,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.027g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	148.121g/mol
Monoisotopic Mass	148.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	74A^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-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number