AG000PBY

1196155-18-6 | Pyridine, 2-ethynyl-5-methoxy-

AG000PBY

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CAS Number	1196155-18-6
Catalog Number	AG000PBY(AGN-PC-0BS7G4)
Chemical Name	Pyridine, 2-ethynyl-5-methoxy-
IUPAC Name	2-ethynyl-5-methoxypyridine
InChI	InChI=1S/C8H7NO/c1-3-7-4-5-8(10-2)6-9-7/h1,4-6H,2H3
InChI Key	QOAGVFXAPIOPGI-UHFFFAOYSA-N
MDL Number	MFCD13189716
Molecular Formula	C8H7NO
Molecular Weight	133.1473
SMILES	COC1=CN=C(C#C)C=C1
Synonyms	2-ethynyl-5-methoxypyridine, 1196155-18-6, SCHEMBL13527880, CTK4B1406, Pyridine, 2-ethynyl-5-methoxy-, DTXSID10721330, 3383AA, MFCD13189716, ZINC71863950, AKOS015994959, AB68974, DS-7020, RP20046, AK123497, AJ-118829, F-5062, J-509343, C8H7NO,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	133.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	133.15g/mol
Monoisotopic Mass	133.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	22.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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