AG00EEHM

64276-66-0 | 1H-Pyrrole-3-carboxylicacid,4-methyl-(9CI)

AG00EEHM

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CAS Number	64276-66-0
Catalog Number	AG00EEHM(AGN-PC-0JO4TM)
Chemical Name	1H-Pyrrole-3-carboxylicacid,4-methyl-(9CI)
IUPAC Name	4-methyl-1H-pyrrole-3-carboxylic acid
InChI	InChI=1S/C6H7NO2/c1-4-2-7-3-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChI Key	FXPOCCDGHHTZAO-UHFFFAOYSA-N
MDL Number	MFCD00030418
Molecular Formula	C6H7NO2
Molecular Weight	125.1253
NSC Number	120446
SMILES	O=C(C1=CNC=C1C)O
Synonyms	4-methyl-1h-pyrrole-3-carboxylic acid, 64276-66-0, 4-Methyl-3-pyrrolecarboxylic Acid, NSC120446, 1H-Pyrrole-3-carboxylic acid, 4-methyl-, AC1L6UFK, AC1Q5THL, AC1Q2OK7, SCHEMBL151109, CTK2F4893, KS-00001ACR, DTXSID60298067, 4-methylpyrrole-3-carboxylic acid, FXPOCCDGHHTZAO-UHFFFAOYSA-N, 3-Methylpyrrole-4-carboxylic Acid, 3-Methyl-4-pyrrolylcarboxylic Acid, 4-Methylpyrrole-3-carboxylic acid,, ZINC1709918, MFCD00030418, AKOS006223721, MCULE-8296584752, NE10878, NSC 120446, NSC-120446, 3-Methyl-1H-pyrrole-4-carboxylic acid, 1H-Pyrrole-3-carboxylicacid, 4-methyl-, AJ-30748, AM804187, AS-39423, SC-66126, DB-073477, FT-0672194, 1H-Pyrrole-3-carboxylicacid,4-methyl-(9CI), EN300-39551, Z398513710, AR-1G3285, CID274408, 1H-Pyrrole-3-carboxylicacid,4-methyl-, 64955-54-0,

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	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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