AG00G70L

79068-31-8 | 1H-Pyrrole-2-carboxylicacid,3-hydroxy-,methylester(9CI)

AG00G70L

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CAS Number	79068-31-8
Catalog Number	AG00G70L(AGN-PC-0ABN1W)
Chemical Name	1H-Pyrrole-2-carboxylicacid,3-hydroxy-,methylester(9CI)
IUPAC Name	methyl 3-hydroxy-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C6H7NO3/c1-10-6(9)5-4(8)2-3-7-5/h2-3,7-8H,1H3
InChI Key	WDPQPKMCONIREA-UHFFFAOYSA-N
MDL Number	MFCD11975599
Molecular Formula	C6H7NO3
Molecular Weight	141.1247
SMILES	O=C(C1=C(O)C=CN1)OC
Synonyms	METHYL 3-HYDROXY-1H-PYRROLE-2-CARBOXYLATE, 79068-31-8, 1H-Pyrrole-2-carboxylicacid,3-hydroxy-,methylester(9CI), 3-Hydroxy-1H-pyrrole-2-carboxylic acid methyl ester, SCHEMBL2937272, DTXSID30716162, WDPQPKMCONIREA-UHFFFAOYSA-N, BCP27565, 2368AC, MFCD11975599, ZINC34238091, AKOS006351325, DS-6996, QC-2099, AJ-87578, AK123374, SC-14508, AB0095215, CS-0044020, W-4436, C6H7NO3, Methyl3-hydroxy-1-H-pyrrole-2-carboxy ate, 1H-Pyrrole-2-carboxylicacid,3-hydroxy-,methylester, 1H-Pyrrole-2-carboxylic acid, 3-hydroxy-, methyl ester (9CI),

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.043g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	141.126g/mol
Monoisotopic Mass	141.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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

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