AG0000O0

1000512-48-0 | 2-Pyridineacetonitrile, 6-methoxy-

AG0000O0

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CAS Number	1000512-48-0
Catalog Number	AG0000O0(AGN-PC-0OPE4V)
Chemical Name	2-Pyridineacetonitrile, 6-methoxy-
IUPAC Name	2-(6-methoxypyridin-2-yl)acetonitrile
InChI	InChI=1S/C8H8N2O/c1-11-8-4-2-3-7(10-8)5-6-9/h2-4H,5H2,1H3
InChI Key	XNYIRHWBNGDYPU-UHFFFAOYSA-N
MDL Number	MFCD09923742
Molecular Formula	C8H8N2O
Molecular Weight	148.1619
SMILES	COC1=NC(CC#N)=CC=C1
Synonyms	2-(6-methoxypyridin-2-yl)acetonitrile, 1000512-48-0, (6-Methoxy-pyridin-2-yl)-acetonitrile, SCHEMBL17391197, CTK8C6579, DTXSID40670483, XNYIRHWBNGDYPU-UHFFFAOYSA-N, (6-Methoxypyridin-2-yl)acetonitrile, MFCD09923742, ZINC44368406, 2-(6-methoxy-2-pyridyl)acetonitrile, AKOS012897823, AB55136, CM-1738, CS-W000072, MCULE-8284956345, NE48045, RL00007, 2-METHOXYPYRIDINE-6-ACETONITRILE, AM802814, AN-26029, AS-41708, 2-PYRIDINEACETONITRILE, 6-METHOXY-, AJ-109656, DB-011900, TC-063247, FT-0656266, 512M480, J-506174, S02-0195, Z1346370707, A16140,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.064g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.165g/mol
Monoisotopic Mass	148.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number