AG00I4M3

2386-28-9 | 1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-

AG00I4M3

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CAS Number	2386-28-9
Catalog Number	AG00I4M3(AGN-PC-0JNC42)
Chemical Name	1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-
IUPAC Name	4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
InChI	InChI=1S/C9H11NO3/c1-4-7(6(3)11)5(2)10-8(4)9(12)13/h10H,1-3H3,(H,12,13)
InChI Key	SQFWNYAZHOVSPA-UHFFFAOYSA-N
MDL Number	MFCD00022374
Molecular Formula	C9H11NO3
Molecular Weight	181.1885
NSC Number	10760
SMILES	O=C(C1=C(C)C(C(C)=O)=C(C)N1)O
Synonyms	4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid, 2386-28-9, 4-Acetyl-3,5-dimethyl-2-pyrrolecarboxylic acid, 1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, 4-acetyl-3,5-dimethyl-pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethylpyrrole-2-carboxylic acid, NSC10760, AC1L5CFS, AC1Q1JEA, AC1Q5TEF, MLS000703735, SCHEMBL1411774, CHEMBL1876820, CTK1A4837, ZINC62274, DTXSID10278950, SQFWNYAZHOVSPA-UHFFFAOYSA-N, HMS2701K16, ALBB-018646, KS-00003HO6, BBL003979, HTS000908, MFCD00022374, NSC-10760, SBB010092, STK282920, AKOS000120963, BS-3984, MCULE-8290712930, AJ-09975, BAS 01026304, N662, SMR000274100, ST079672, AB0015954, DB-046270, TR-041877, BB 0218434, FT-0634239, 4-Acetyl-3,5-dimethylpyrrole carboxylic acid, L-4367, 3,5-dimethyl-4-acetylpyrrole-2-carboxylic acid, 2-Pyrrolecarboxylic acid, 4-acetyl-3,5-dimethyl-, AH-357/03462063, SR-01000389010, J-015243, SR-01000389010-1, 1H-Pyrrole-2-carboxylicacid, 4-acetyl-3,5-dimethyl-, 4-Acetyl-3,5-dimethyl-2-pyrrolecarboxylic acid, 95%, Z56921394, F0266-4226, A1132/0052911, InChI=1/C9H11NO3/c1-4-7(6(3)11)5(2)10-8(4)9(12)13/h10H,1-3H3,(H,12,13, N-(4-methoxybenzyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide, C9H11NO3, AR-1G0359, CID223277, 4-ACETYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLICACID, 2386-33-6, 27420-39-9,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	181.191g/mol
Monoisotopic Mass	181.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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