AG0037K7

3757-53-7 | 5-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID

AG0037K7

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CAS Number	3757-53-7
Catalog Number	AG0037K7(AGN-PC-00K1G3)
Chemical Name	5-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID
IUPAC Name	5-methyl-1H-pyrrole-2-carboxylic acid
InChI	InChI=1S/C6H7NO2/c1-4-2-3-5(7-4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChI Key	UFYABCWJPZTWHA-UHFFFAOYSA-N
MDL Number	MFCD03011381
Molecular Formula	C6H7NO2
Molecular Weight	125.1253
SMILES	CC1=CC=C(N1)C(=O)O
Synonyms	5-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID, 3757-53-7, 5-METHYL-1H-PYRROLE-2-CARBOXYLICACID, 5-methylpyrrole-2-carboxylic acid, SCHEMBL1664245, CTK4H8424, DTXSID20512716, UFYABCWJPZTWHA-UHFFFAOYSA-N, 4808AB, ANW-56828, MFCD03011381, ZINC26506991, AKOS006243273, DS-3460, KS-00000F73, AJ-82491, AK100045, SC-94836, 1H-Pyrrole-2-carboxylic acid, 5-methyl-, AB1007404, TC-145573, 4CH-003983, FT-0692768, ST24033047, K-8284, null, 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

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