AG00CIU3

37102-48-0 | 2-Methyl-1H-pyrrole-3-carboxylic acid

AG00CIU3

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CAS Number	37102-48-0
Catalog Number	AG00CIU3(AGN-PC-0JNSYW)
Chemical Name	2-Methyl-1H-pyrrole-3-carboxylic acid
IUPAC Name	2-methyl-1H-pyrrole-3-carboxylic acid
InChI	InChI=1S/C6H7NO2/c1-4-5(6(8)9)2-3-7-4/h2-3,7H,1H3,(H,8,9)
InChI Key	YBJBJOLFTYIFKP-UHFFFAOYSA-N
MDL Number	MFCD01625949
Molecular Formula	C6H7NO2
Molecular Weight	125.1253
NSC Number	81358
SMILES	CC1=C(C=CN1)C(O)=O
Synonyms	2-methyl-1h-pyrrole-3-carboxylic acid, 37102-48-0, 1H-Pyrrole-3-carboxylic acid, 2-methyl-, 2-methylpyrrole-3-carboxylic acid, NSC81358, AC1L5SX0, AC1Q5TI2, SCHEMBL2549032, CTK4H7712, KS-00000PJJ, DTXSID20292288, YBJBJOLFTYIFKP-UHFFFAOYSA-N, 2-Methyl-3-pyrrolecarboxylic acid, ALBB-018078, ZINC1574411, 4732AB, ANW-71635, CCG-40445, MFCD01625949, NSC-81358, AKOS006350912, MCULE-5422010043, AJ-27247, AK-77215, AM803795, DA-06366, DS-17009, QC-11718, TC-160380, 4CH-023589, CS-0038738, FT-0717613, ST24040816, W-8465, 2-Methyl-1H-pyrrole-3-carboxylic acid, AldrichCPR, Z1357774304, C6H7NO2, AR-1E3371, CID255666, 37387-69-2,

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	0.6

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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