AG00G9EL

854044-30-7 | 5-cyano-1H-pyrrole-2-carboxylic acid

AG00G9EL

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CAS Number	854044-30-7
Catalog Number	AG00G9EL(AGN-PC-0AMDIM)
Chemical Name	5-cyano-1H-pyrrole-2-carboxylic acid
IUPAC Name	5-cyano-1H-pyrrole-2-carboxylic acid
InChI	InChI=1S/C6H4N2O2/c7-3-4-1-2-5(8-4)6(9)10/h1-2,8H,(H,9,10)
InChI Key	RCODEPXKMGSYIA-UHFFFAOYSA-N
MDL Number	MFCD20484284
Molecular Formula	C6H4N2O2
Molecular Weight	136.1082
SMILES	O=C(C1=CC=C(C#N)N1)O
Synonyms	5-Cyano-1H-pyrrole-2-carboxylic acid, 854044-30-7, 1H-Pyrrole-2-carboxylic acid, 5-cyano-, SCHEMBL5092251, DTXSID60717728, RCODEPXKMGSYIA-UHFFFAOYSA-N, ZINC72338653, AKOS006385672, MCULE-1617530941, NE41635, RP20235, J-517425, Z1495385158,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.027g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	136.11g/mol
Monoisotopic Mass	136.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	76.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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