AG0000NH

100047-52-7 | 1H-Pyrrole-3-carboxylic acid, 5-methyl-

AG0000NH

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CAS Number	100047-52-7
Catalog Number	AG0000NH(AGN-PC-0NP95R)
Chemical Name	1H-Pyrrole-3-carboxylic acid, 5-methyl-
IUPAC Name	5-methyl-1H-pyrrole-3-carboxylic acid
InChI	InChI=1S/C6H7NO2/c1-4-2-5(3-7-4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChI Key	COMZOQAWNKVQEZ-UHFFFAOYSA-N
MDL Number	MFCD09991919
Molecular Formula	C6H7NO2
Molecular Weight	125.1253
SMILES	O=C(C1=CNC(C)=C1)O
Synonyms	5-methyl-1H-pyrrole-3-carboxylic acid, 100047-52-7, 1H-Pyrrole-3-carboxylicacid, 5-methyl-, 5-Methyl-3-pyrrolecarboxylic acid, ACMC-209xr3, CHEMBL247338, SCHEMBL1664053, CTK0H2327, DTXSID60653091, ANW-48013, MFCD09991919, ZINC26897380, 5-Methyl-1H-pyrrole-3-carboxylicacid, AKOS006311337, KS-000019P6, AJ-83112, AK-78330, BR-78330, DA-17764, DS-17312, 1H-Pyrrole-3-carboxylic acid, 5-methyl-, AB0034330, TC-136758, 4CH-003288, CS-0018766, FT-0765048, ST24024140, X8465, M80026, S-6288, C6H7NO2,

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	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number