AG00AR43

1701-70-8 | 3-Butanoylpyridine

AG00AR43

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CAS Number	1701-70-8
Catalog Number	AG00AR43(AGN-PC-007WTS)
Chemical Name	3-Butanoylpyridine
IUPAC Name	1-pyridin-3-ylbutan-1-one
InChI	InChI=1S/C9H11NO/c1-2-4-9(11)8-5-3-6-10-7-8/h3,5-7H,2,4H2,1H3
InChI Key	JORUAYHMUWRFNM-UHFFFAOYSA-N
MDL Number	MFCD12153276
Molecular Formula	C9H11NO
Molecular Weight	149.1897
SMILES	CCCC(C1=CC=CN=C1)=O
UNII	1BS6AQ13XB
Synonyms	1-(Pyridin-3-yl)butan-1-one, 1701-70-8, 1-Butanone, 1-(3-pyridinyl)-, 3-Butyrylpyridine, 1-PYRIDIN-3-YLBUTAN-1-ONE, 1-(3-Pyridinyl)-1-butanone, UNII-1BS6AQ13XB, 1BS6AQ13XB, 1-(3-Pyridyl)-1-butanone, 1-pyridin-3-yl-butan-1-one, JORUAYHMUWRFNM-UHFFFAOYSA-N, 1-Butanone, 1-(3-pyridyl)-, 3-Butanoylpyridine, 3-Butyroylpyridine, Propyl pyridyl ketone, propyl 3-pyridyl ketone, AC1LA0LM, (3-pyridyl)-1-butanone, 1-(3-pyridyl)butan-1-one, SCHEMBL552724, CTK0E4906, DTXSID50332661, 1-(3-Pyridinyl)-1-butanone #, ZINC5972858, 8727AA, MFCD12153276, AKOS010016662, DS-6928, MCULE-1516047070, NE22192, AJ-55361, AK123326, Z1649677637, C9H11NO, CID459502, PBO,

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	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number