AG003GAS

932-16-1 | 1-(1-Methyl-1H-pyrrol-2-yl)ethanone

AG003GAS

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CAS Number	932-16-1
Catalog Number	AG003GAS(AGN-PC-03FSX9)
Chemical Name	1-(1-Methyl-1H-pyrrol-2-yl)ethanone
EC Number	213-247-6
FEMA Number	3184
IUPAC Name	1-(1-methylpyrrol-2-yl)ethanone
InChI	InChI=1S/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H3
InChI Key	NZFLWVDXYUGFAV-UHFFFAOYSA-N
MDL Number	MFCD00003089
Molecular Formula	C7H9NO
Molecular Weight	123.1525
NSC Number	87239
SMILES	CC(C1=CC=CN1C)=O
UNII	6712EFN084
Synonyms	2-acetyl-1-methylpyrrole, 2-Acetyl-1-methylpyrrole, 932-16-1, 1-(1-Methyl-1H-pyrrol-2-yl)ethanone, N-Methyl-2-acetylpyrrole, 1-(1-Methylpyrrol-2-yl)ethanone, 1-Methyl-2-acetylpyrrole, 2-Acetyl-N-methylpyrrole, ETHANONE, 1-(1-METHYL-1H-PYRROL-2-YL)-, Methyl 1-methylpyrrol-2-yl ketone, 1-(1-Methyl-1H-pyrrol-2-yl)ethan-1-one, 2-acetyl-1-methyl pyrrole, Ketone, methyl 1-methylpyrrol-2-yl, FEMA No. 3184, 1-(1-methyl-1H-pyrrol-2-yl)-ethanone, UNII-6712EFN084, fema 3184, EINECS 213-247-6, NSC 87239, CHEBI:59982, 1H-Pyrrole, 1-methyl-2-acetyl, NZFLWVDXYUGFAV-UHFFFAOYSA-N, MFCD00003089, 6712EFN084, 1-(1-methyl-2-pyrrolyl)ethanone, N-Methyl-2-Acetyl Pyrrole, NSC87239, fema number 3184, ACMC-209rkj, AC1L1UTU, AC1Q3YWS, Epitope ID:136038, SCHEMBL80996, KSC498C0F, 1-Methyl-2-acetyl-1H-pyrrole, DTXSID6022139, CTK3J8102, 2-Acetyl-1-methylpyrrole, 98%, methyl 1-methyl-2-pyrrolyl ketone, KS-00000C0I, ZINC1561741, ANW-40001, CCG-40531, KM3174, NSC-87239, SBB067044, 1-(1-methylpyrrol-2-yl)-1-ethanone, AKOS005207227, AC-7331, AN-9078, DS-8907, MCULE-2872976165, RTR-029203, TRA0019707, VP60111, 1-(1-methyl-1h-pyrrol-2-yl)-ethanon, 2-Acetyl-1-methylpyrrole, >=98%, FG, AJ-27059, AK148515, CJ-05357, CJ-24546, SY005755, 1-(1-Methyl-1H-pyrrol-2-yl)ethanone #, DB-020322, LS-180657, TR-029203, FT-0610946, ST24036981, ST51029068, V9261, MFCD00003089 (98%), A808563, A844478, I14-0740, Q-100892, Z1913645887, InChI=1/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H, C7H9NO, C7-H9-N-O, CID61240, 2-Acetyl-1-methylpyrrole, 98% - 1G 1g, A1014, 1468-83-3, 348640-06-2,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	123.068g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	123.155g/mol
Monoisotopic Mass	123.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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

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