AG0037NE

18711-59-6 | 4-Methylpyrrole-2-carboxylic acid

AG0037NE

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CAS Number	18711-59-6
Catalog Number	AG0037NE(AGN-PC-0022T2)
Chemical Name	4-Methylpyrrole-2-carboxylic acid
IUPAC Name	4-methyl-1H-pyrrole-2-carboxylic acid
InChI	InChI=1S/C6H7NO2/c1-4-2-5(6(8)9)7-3-4/h2-3,7H,1H3,(H,8,9)
InChI Key	YXYAHRAFINYJPL-UHFFFAOYSA-N
MDL Number	MFCD03839931
Molecular Formula	C6H7NO2
Molecular Weight	125.1253
SMILES	CC=1C=C(NC1)C(=O)O
Synonyms	4-Methyl-1H-pyrrole-2-carboxylic acid, 18711-59-6, 4-Methyl pyrrole-2-carboxylic acid, 4-Methylpyrrole-2-carboxylic acid, 1H-Pyrrole-2-carboxylicacid,4-methyl-, PubChem13375, SCHEMBL1337277, CTK0H4357, KS-00003SSA, DTXSID30562520, YXYAHRAFINYJPL-UHFFFAOYSA-N, 4-methyl-pyrrole-2-carboxylic acid, ACT09177, ZINC2513001, ANW-46724, CM-784, FCH921106, MFCD03839931, SBB053090, AKOS006343010, AC-6349, 1H-Pyrrole-2-carboxylicacid, 4-methyl-, 4-Methylpyrrole-2-carboxylic acid, 97%, AJ-36752, AK-81514, AN-10085, OR345040, TS-01639, 1H-Pyrrole-2-carboxylic acid, 4-methyl-, AB0005563, AX8032397, DB-012208, ST2411525, TC-135469, FT-0659125, V0508, M57034, X-2162, 711M596, I11-0136, C6H7NO2, 4-Methylpyrrole-2-carboxylicacid, ACN-001841,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	125.127g/mol
Monoisotopic Mass	125.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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