AG003RPE

78584-30-2 | Methyl 3-(3-Pyridyl)propiolate

AG003RPE

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CAS Number	78584-30-2
Catalog Number	AG003RPE(AGN-PC-0NK0B6)
Chemical Name	Methyl 3-(3-Pyridyl)propiolate
IUPAC Name	methyl 3-pyridin-3-ylprop-2-ynoate
InChI	InChI=1S/C9H7NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-3,6-7H,1H3
InChI Key	JSDWMTRFFZEDCX-UHFFFAOYSA-N
MDL Number	MFCD18205098
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	O=C(OC)C#CC1=CC=CN=C1
Synonyms	Methyl 3-(3-Pyridyl)propiolate, 78584-30-2, methyl 3-pyridin-3-ylprop-2-ynoate, methyl 3-(pyridin-3-yl)prop-2-ynoate, Methyl 3-(pyridin-3-yl)propiolate, methyl 3-pyridylpropiolate, SCHEMBL854400, Methyl3-(3-Pyridyl)propiolate, KS-00000BPZ, JSDWMTRFFZEDCX-UHFFFAOYSA-N, 6983AJ, MFCD18205098, ZINC39271745, AKOS013859474, TRA-0183781, pyridin-3-yl-propynoic acid methyl ester, AK209740, CS-11487, SY022413, FT-0766576, MFCD18205098 (97%), F8886-7590, C9H7NO2, 2632-10-2,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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