AG003RPD

72764-93-3 | Methyl 3-(pyridin-2-yl)propiolate

AG003RPD

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CAS Number	72764-93-3
Catalog Number	AG003RPD(AGN-PC-0LE0UX)
Chemical Name	Methyl 3-(pyridin-2-yl)propiolate
IUPAC Name	methyl 3-pyridin-2-ylprop-2-ynoate
InChI	InChI=1S/C9H7NO2/c1-12-9(11)6-5-8-4-2-3-7-10-8/h2-4,7H,1H3
InChI Key	FZFHTWMHKXJIKR-UHFFFAOYSA-N
MDL Number	MFCD02646628
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	O=C(OC)C#CC1=NC=CC=C1
Synonyms	Methyl 3-(2-Pyridyl)propiolate, 72764-93-3, methyl 3-(pyridin-2-yl)propiolate, methyl 3-pyridin-2-ylprop-2-ynoate, methyl 3-(pyridin-2-yl)prop-2-ynoate, AC1NDOEN, methyl 2-pyridylpropiolate, Methyl3-(2-Pyridyl)propiolate, SCHEMBL13382203, KS-00000BQ0, ZINC4499208, 6979AJ, MFCD02646628, AKOS009096689, AK208004, AS-55031, DA-41551, SY022414, 3-(2-Pyridinyl)propiolic acid methyl ester, CS-0036606, FT-0765267, MFCD02646628 (95%), SR-01000529384, S02-0226, SR-01000529384-1, F8885-5835, C9H7NO2, ZINC04499208, CID4604441,

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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