AG00FD5M

663955-59-7 | Pyridine, 5-ethynyl-2-methoxy- (9CI)

AG00FD5M

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CAS Number	663955-59-7
Catalog Number	AG00FD5M(AGN-PC-035SBQ)
Chemical Name	Pyridine, 5-ethynyl-2-methoxy- (9CI)
IUPAC Name	5-ethynyl-2-methoxypyridine
InChI	InChI=1S/C8H7NO/c1-3-7-4-5-8(10-2)9-6-7/h1,4-6H,2H3
InChI Key	MQHVRXMDMIUWQJ-UHFFFAOYSA-N
MDL Number	MFCD10698135
Molecular Formula	C8H7NO
Molecular Weight	133.1473
SMILES	COC1=NC=C(C#C)C=C1
Synonyms	5-ethynyl-2-methoxypyridine, 663955-59-7, PYRIDINE, 5-ETHYNYL-2-METHOXY-, 2-methoxy-5-ethynyl pyridine, Pyridine, 5-ethynyl-2-methoxy- (9CI), 5-ethynyl-2-methoxy-pyridine, Benzenemethanamine,4-ethynyl-, 5-Ethynyl-2-methoxy pyridine, SCHEMBL4032168, CTK4E2320, DTXSID20610726, MQHVRXMDMIUWQJ-UHFFFAOYSA-N, KS-000004SN, 0197AC, ANW-73360, MFCD10698135, ZINC39049076, AKOS006302960, PB23831, RP09309, VP12384, AJ-97464, AS-34074, DB-073750, TC-064279, A8958, BB 0261056, CS-0050494, FT-0682263, F-5048, I02-2652, J-517481, C8H7NO, 197844-23-8,

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	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number