AG000PCX

1196156-05-4 | 2(1H)-Pyridinone, 5-ethynyl-

AG000PCX

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CAS Number	1196156-05-4
Catalog Number	AG000PCX(AGN-PC-0WAHML)
Chemical Name	2(1H)-Pyridinone, 5-ethynyl-
IUPAC Name	5-ethynyl-1H-pyridin-2-one
InChI	InChI=1S/C7H5NO/c1-2-6-3-4-7(9)8-5-6/h1,3-5H,(H,8,9)
InChI Key	LTZKNJCKOOCPBG-UHFFFAOYSA-N
MDL Number	MFCD13189728
Molecular Formula	C7H5NO
Molecular Weight	119.1207
SMILES	O=C1C=CC(C#C)=CN1
Synonyms	5-ethynylpyridin-2-ol, 1196156-05-4, 5-ethynylpyridin-2(1H)-one, SCHEMBL7921018, CTK4B1410, DTXSID30670316, 3388AA, ANW-65330, MFCD13189728, ZINC38540744, AKOS016005355, AB69001, FCH1186384, AJ-96502, AK102859, AS-50227, EN001115, AX8234398, TC-154075, CS-0046193, F-5012, C7H5NO, 2(1H)-Pyridinone, 5-ethynyl-, N/A,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	119.037g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	119.123g/mol
Monoisotopic Mass	119.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225
Packing Group	Ⅲ
Precautionary statements	P210-P273-P243-P403
UN Code	UN 1993

Certificate of Analysis

Lot Number