AG003MPH

887579-62-6 | 5-Cyanonicotinic acid

AG003MPH

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CAS Number	887579-62-6
Catalog Number	AG003MPH(AGN-PC-03LGUY)
Chemical Name	5-Cyanonicotinic acid
IUPAC Name	5-cyanopyridine-3-carboxylic acid
InChI	InChI=1S/C7H4N2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,3-4H,(H,10,11)
InChI Key	YLVWEUCOZIMGPV-UHFFFAOYSA-N
MDL Number	MFCD07367904
Molecular Formula	C7H4N2O2
Molecular Weight	148.1189
SMILES	OC(=O)C1=CC(=CN=C1)C#N
Synonyms	5-Cyanonicotinic acid, 887579-62-6, 5-Cyano-3-pyridinecarboxylic acid, 5-CYANO-NICOTINIC ACID, 5-CYANOPYRIDINE-3-CARBOXYLIC ACID, 5-CyanonicotinicAcid, SCHEMBL2115989, CTK7C9081, DTXSID50623243, YLVWEUCOZIMGPV-UHFFFAOYSA-N, KS-00000CY7, 2070AF, 4593AC, ANW-69147, MFCD07367904, ZINC21984982, AKOS006286288, AB31370, NE63294, RP21192, TRA-0184687, AJ-79281, AS-47469, BC207474, SY029381, DB-078172, TC-157892, FT-0759157, 5-cyano-3-pyridinecarboxylic acid, AldrichCPR, MFCD07367904 (95+%), J-517434, C7H4N2O2, C12H18N2O, ACN-044628, 1-[2-(Aminomethyl)phenyl]-4-piperidinol, 10435-57-1, 887580-19-0,

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
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number