AG007MWV

2386-25-6 | 3-Acetyl-2,4-dimethylpyrrole

AG007MWV

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CAS Number	2386-25-6
Catalog Number	AG007MWV(AGN-PC-0JKC4P)
Chemical Name	3-Acetyl-2,4-dimethylpyrrole
EC Number	219-197-1
IUPAC Name	1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone
InChI	InChI=1S/C8H11NO/c1-5-4-9-6(2)8(5)7(3)10/h4,9H,1-3H3
InChI Key	VGZCKCJMYREIKA-UHFFFAOYSA-N
MDL Number	MFCD00005221
Molecular Formula	C8H11NO
Molecular Weight	137.1790
NSC Number	10759
SMILES	CC1=CNC(C)=C1C(C)=O
Synonyms	3-Acetyl-2,4-dimethylpyrrole, 2386-25-6, 2,4-Dimethyl-3-acetylpyrrole, 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone, 2,4-Dimethylpyrrol-3-yl methyl ketone, Ethanone, 1-(2,4-dimethyl-1H-pyrrol-3-yl)-, KETONE, 2,4-DIMETHYLPYRROL-3-YL METHYL, 1-(2,4-Dimethyl-1H-pyrrol-3-yl)-ethanone, EINECS 219-197-1, 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one, NSC 10759, NSC 40231, BRN 0109769, AI3-60327, 2,4-Dimethyl-3-acetyl-pyrrole, 3-Acetyl-2,5-dimethyl-pyrrole, VGZCKCJMYREIKA-UHFFFAOYSA-N, 2,5-Dimethylpyrrol-3-yl methyl ketone, BRN 0112096, Ketone, 2,5-dimethyl-3-pyrrolyl methyl, KETONE, 2,5-DIMETHYLPYRROL-3-YL METHYL, 3-Acetyl-2,4-dimethylpyrrole, 98%, PubChem11100, AC1Q1JED, timtec-bb sbb004194, AC1L25AQ, 5-21-07-00234 (Beilstein Handbook Reference), KSC496C4B, MLS000047143, SCHEMBL891077, 2,4-dimethyl-3acetyl pyrrole, ethanone, 1-(2,4-dimethyl-1h-pyrrol-3-yl)- (9ci), 2,4-dimethyl-3-acetyl pyrrole, 3- acetyl-2,4-dimethylpyrrole, CHEMBL1725066, CTK3J6140, KS-00000ZUC, ZINC76519, 2,4-Dimethyl-3 -acetyl-pyrrole, HMS2283D10, WLN: T5MJ B1 CV1 D1, NSC10759, 2,4-Dimethyl-3-acetyl-1H-pyrrole, 3-acetyl-2,4-dimethyl-1H-pyrrole, ANW-48213, CD-787, Ketone,4-dimethylpyrrol-3-yl methyl, MFCD00005221, NSC-10759, SBB004194, STK792998, ketone,2,4-dimethylpyrrol-3-ylmethyl, 3-Acetyl-2,4-dimethylpyrrole, 97%, AKOS001094269, AC-6172, MCULE-3177341467, VP60066, Ethanone,4-dimethyl-1H-pyrrol-3-yl)-, AJ-10385, AN-10327, BR-34283, CJ-00595, L466, LS-87190, LS-87191, SMR000033154, ZB002731, AB0014718, DB-046268, RT-002881, ST2404862, ST4043655, 4CH-017846, FT-0634238, 1-(2,4-Dimethyl-1H-pyrrole-3-yl)-ethanone, A23298, S-2346, 386A256, 5-21-07-00235 (Beilstein Handbook Reference), I11-0415, J-015242, A1941/0081563, InChI=1/C8H11NO/c1-5-4-9-6(2)8(5)7(3)10/h4,9H,1-3H, C8H11NO, C8-H11-N-O, CID15163, A2734, Ethanol, 1-(2,4-dimethyl-3H-pyrrol-3-ylidene)- (9CI), 1500-94-3, 763024-00-6,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.084g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	137.182g/mol
Monoisotopic Mass	137.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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