AG003I5F

66869-74-7 | 3-(Pyridin-4-yl)propiolic acid

AG003I5F

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CAS Number	66869-74-7
Catalog Number	AG003I5F(AGN-PC-0NIX69)
Chemical Name	3-(Pyridin-4-yl)propiolic acid
IUPAC Name	3-pyridin-4-ylprop-2-ynoic acid
InChI	InChI=1S/C8H5NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h3-6H,(H,10,11)
InChI Key	XXZFDZHMDVKNLX-UHFFFAOYSA-N
MDL Number	MFCD14707287
Molecular Formula	C8H5NO2
Molecular Weight	147.1308
SMILES	C(#CC(=O)O)c1ccncc1
Synonyms	3-(4-Pyridyl)propiolic Acid, 66869-74-7, 3-(Pyridin-4-yl)propiolic acid, 3-pyridin-4-ylprop-2-ynoic acid, 3-(PYRIDIN-4-YL)PROP-2-YNOIC ACID, 3-(4-Pyridyl)propiolicAcid, SCHEMBL6121181, KS-00000CU0, 5670AJ, MFCD14707287, ZINC39049723, AKOS012991254, TRA0042992, AJ-97469, CS-11486, SY022408, FT-0710398, 3-(4-Pyridinyl)-2-propynoic acid, AldrichCPR, MFCD14707287 (95+%), C8H5NO2, 2-Propynoic acid, 3-(4-pyridinyl)- (9CI),

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.032g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	147.133g/mol
Monoisotopic Mass	147.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number