AG00C7XS

37398-49-5 | 2-ACETYL-ISONICOTINONITRILE

AG00C7XS

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CAS Number	37398-49-5
Catalog Number	AG00C7XS(AGN-PC-0N4VV4)
Chemical Name	2-ACETYL-ISONICOTINONITRILE
IUPAC Name	2-acetylpyridine-4-carbonitrile
InChI	InChI=1S/C8H6N2O/c1-6(11)8-4-7(5-9)2-3-10-8/h2-4H,1H3
InChI Key	WISLYNBDMYWHNF-UHFFFAOYSA-N
MDL Number	MFCD07357443
Molecular Formula	C8H6N2O
Molecular Weight	146.1460
SMILES	N#CC1=CC=NC(C(C)=O)=C1
Synonyms	2-Acetylisonicotinonitrile, 37398-49-5, 2-acetylpyridine-4-carbonitrile, 2-ACETYL-ISONICOTINONITRILE, 2-Acetyl-4-cyanopyridine, 2-ACETYL-4-PYRIDINECARBONITRILE, SCHEMBL1853358, CTK1C1220, KS-00000MRF, DTXSID30440258, WISLYNBDMYWHNF-UHFFFAOYSA-N, MFCD07357443, ZINC21996648, AKOS006285304, AB30645, DS-5072, AJ-79944, AK126179, SC-14251, 4-PYRIDINECARBONITRILE, 2-ACETYL-, TC-063781, J-400230, CID10464460, 4-Pyridinecarbonitrile, 2-acetyl- (9CI),

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.149g/mol
Monoisotopic Mass	146.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number