AG002LQP

22971-32-0 | 1-Butanone, 1-(2-pyridinyl)-

AG002LQP

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CAS Number	22971-32-0
Catalog Number	AG002LQP(AGN-PC-0413MQ)
Chemical Name	1-Butanone, 1-(2-pyridinyl)-
IUPAC Name	1-pyridin-2-ylbutan-1-one
InChI	InChI=1S/C9H11NO/c1-2-5-9(11)8-6-3-4-7-10-8/h3-4,6-7H,2,5H2,1H3
InChI Key	IWVHZRXWFIWOMH-UHFFFAOYSA-N
MDL Number	MFCD00778319
Molecular Formula	C9H11NO
Molecular Weight	149.1897
SMILES	C(CCC)(=O)C1=NC=CC=C1
Synonyms	2-BUTYRYLPYRIDINE, 22971-32-0, 1-(pyridin-2-yl)butan-1-one, 1-Butanone, 1-(2-pyridinyl)-, 1-Butanone, 1-(2-pyridyl)-, 1-(2-Pyridinyl)-1-butanone, IWVHZRXWFIWOMH-UHFFFAOYSA-N, Pyridylpropylketon, AC1LBE5T, AC1Q2UFB, 1-pyridin-2-ylbutan-1-one, SCHEMBL745013, ACMC-209g02, AC1Q5G04, CTK4F0598, DTXSID60339464, KS-00000C0S, ANW-25008, MFCD00778319, ZINC32225041, AKOS010015528, MCULE-4071192897, TRA0042385, AJ-85087, AK-82449, AS-36707, CJ-17934, SC-27152, SY005363, AB0054445, DB-018106, TR-033420, FT-0690990, V4534, EN300-69117, B-8027, MFCD00778319 (97+%), I02-2994, Z1258721218, 1- BUTAN-1-ONE, C9H11NO, AR-1C2072, CID556348, 23108-98-7,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	149.193g/mol
Monoisotopic Mass	149.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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