AG008U96

1125-32-2 | 1H-Pyrrole-2,3-dicarboxylic acid

AG008U96

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CAS Number	1125-32-2
Catalog Number	AG008U96(AGN-PC-0JPI4L)
Chemical Name	1H-Pyrrole-2,3-dicarboxylic acid
IUPAC Name	1H-pyrrole-2,3-dicarboxylic acid
InChI	InChI=1S/C6H5NO4/c8-5(9)3-1-2-7-4(3)6(10)11/h1-2,7H,(H,8,9)(H,10,11)
InChI Key	OEUSNWDYXDEXDR-UHFFFAOYSA-N
MDL Number	MFCD18379614
Molecular Formula	C6H5NO4
Molecular Weight	155.1082
SMILES	O=C(C1=C(C(O)=O)C=CN1)O
Synonyms	pyrrole-2,3-dicarboxylic acid, 1H-Pyrrole-2,3-dicarboxylic acid, 1125-32-2, Pyrrole-2,3-dicarboxylic acid, SCHEMBL69690, AC1L457U, CTK0I1870, 1H-Pyrrole-2,3-dicarboxylicacid, DTXSID40150073, ZINC6091589, MFCD09991931, AKOS006311962, AK406071, AS-47839, SC-53178, PDCA, C6-H5-N-O4, CID150884,

Complexity	191
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	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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