AG006EMK

937-27-9 | 1H-Pyrrole-2,5-dicarboxylic acid

AG006EMK

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CAS Number	937-27-9
Catalog Number	AG006EMK(AGN-PC-00HD82)
Chemical Name	1H-Pyrrole-2,5-dicarboxylic acid
IUPAC Name	1H-pyrrole-2,5-dicarboxylic acid
InChI	InChI=1S/C6H5NO4/c8-5(9)3-1-2-4(7-3)6(10)11/h1-2,7H,(H,8,9)(H,10,11)
InChI Key	JLUIOEOHOOLSJC-UHFFFAOYSA-N
MDL Number	MFCD09991932
Molecular Formula	C6H5NO4
Molecular Weight	155.1082
SMILES	O=C(C1=CC=C(C(O)=O)N1)O
Synonyms	1H-pyrrole-2,5-dicarboxylic Acid, 937-27-9, Pyrrole-2,5-dicarboxylic acid, AK-93345, J-504746, pyrrole-2,5-dicarboxylic, SCHEMBL70048, CHEBI:71161, CTK3G9491, DTXSID80474366, JLUIOEOHOOLSJC-UHFFFAOYSA-N, 1-H-pyrrole-2,5-dicarboxylic acid, 5938AC, BBL034425, FCH879078, MFCD09991932, STL383205, ZINC14684355, AKOS006311963, MCULE-9722285844, RP21920, AJ-65304, DS-17822, AX8250431, DB-079674, ST2401765, TC-066360, 4CH-019474, FT-0652334, P80024, S-1053, A844689, I14-5732, C6H5NO4, ACN-038512, CID11846406,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.022g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	155.109g/mol
Monoisotopic Mass	155.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	90.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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