AG00CLZ6

39604-60-9 | PYRROLE-2,5-DICARBOXALDEHYDE

AG00CLZ6

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CAS Number	39604-60-9
Catalog Number	AG00CLZ6(AGN-PC-0KK0IK)
Chemical Name	PYRROLE-2,5-DICARBOXALDEHYDE
IUPAC Name	1H-pyrrole-2,5-dicarbaldehyde
InChI	InChI=1S/C6H5NO2/c8-3-5-1-2-6(4-9)7-5/h1-4,7H
InChI Key	MKVBQBLIGAFRIY-UHFFFAOYSA-N
MDL Number	MFCD00216926
Molecular Formula	C6H5NO2
Molecular Weight	123.1094
SMILES	O=CC1=CC=C(N1)C=O
Synonyms	1H-pyrrole-2,5-dicarbaldehyde, 39604-60-9, Pyrrole-2,5-dicarbaldehyde, pyrrole-2,5-dicarboxaldehyde, 1H-Pyrrole-2,5-dicarboxaldehyde, AC1MC61S, SCHEMBL1309456, CTK1B3825, DTXSID70369297, MKVBQBLIGAFRIY-UHFFFAOYSA-N, ACT08970, ZINC2559042, 5194AB, ANW-66393, AKOS006275775, MCULE-2450190034, AJ-40207, TC-155138, C6H5NO2, ZINC02559042, ACN-030125, CID2724957,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	123.032g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	123.111g/mol
Monoisotopic Mass	123.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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