AG0016W5

122181-85-5 | 1H-Pyrrole-2-carboxylic acid, 1-amino-, methyl ester

AG0016W5

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CAS Number	122181-85-5
Catalog Number	AG0016W5(AGN-PC-000F98)
Chemical Name	1H-Pyrrole-2-carboxylic acid, 1-amino-, methyl ester
IUPAC Name	methyl 1-aminopyrrole-2-carboxylate
InChI	InChI=1S/C6H8N2O2/c1-10-6(9)5-3-2-4-8(5)7/h2-4H,7H2,1H3
InChI Key	OGSXCPFDMJGEDQ-UHFFFAOYSA-N
MDL Number	MFCD11226170
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	COC(=O)C1=CC=CN1N
Synonyms	methyl 1-amino-1H-pyrrole-2-carboxylate, 122181-85-5, 1H-Pyrrole-2-carboxylic acid, 1-amino-, methyl ester, 1-Amino-1H-pyrrole-2-carboxylic acid methyl ester, SCHEMBL1962839, CTK8C4669, DTXSID00555944, OGSXCPFDMJGEDQ-UHFFFAOYSA-N, 1-amino-2-carbomethoxy-1H-pyrrole, 4226AA, ANW-72678, FCH890111, methyl 1-azanylpyrrole-2-carboxylate, MFCD11226170, ZINC21303282, AKOS006307218, ACM122181855, AJ-78426, AK-30592, DS-12179, OR350273, SC-32311, AX8225505, DB-062018, METHYL 1-AMINOPYRROLE-2-CARBOXYLATE, TC-161423, TL8007085, FT-0654641, 1-amino-2-pyrrolecarboxylic acid methyl ester, A804853, S02-0061, C6H8N2O2, 1H-Pyrrole-2-carboxylic acid, 1-amino-, methyl ester (9CI),

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.142g/mol
Monoisotopic Mass	140.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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