AG00ATFV

1873-12-7 | 1-Methyl-5-nitro-1H-pyrrole-2-carboxylic acid

AG00ATFV

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CAS Number	1873-12-7
Catalog Number	AG00ATFV(AGN-PC-0MJRDZ)
Chemical Name	1-Methyl-5-nitro-1H-pyrrole-2-carboxylic acid
IUPAC Name	1-methyl-5-nitropyrrole-2-carboxylic acid
InChI	InChI=1S/C6H6N2O4/c1-7-4(6(9)10)2-3-5(7)8(11)12/h2-3H,1H3,(H,9,10)
InChI Key	FLRXGGRRZQMJJI-UHFFFAOYSA-N
MDL Number	MFCD07838488
Molecular Formula	C6H6N2O4
Molecular Weight	170.1228
SMILES	O=C(C1=CC=C([N+]([O-])=O)N1C)O
Synonyms	1-Methyl-5-nitro-1H-pyrrole-2-carboxylic acid, 1873-12-7, 1-methyl-5-nitropyrrole-2-carboxylic acid, AC1Q3XLS, AC1PG86M, CHEMBL276267, SCHEMBL7832147, CTK7I8201, DTXSID80429255, CS-D1283, ZINC7779462, MFCD07838488, AKOS000119328, AJ-57224, AS-42109, 1-Methyl-5-nitro-2-pyrrolecarboxylic acid, EN300-23777, CID8893267, 1-methyl-5-nitro-pyrrole-2-carboxylic Acid,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.033g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.124g/mol
Monoisotopic Mass	170.033g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

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