Name: Name:1H-Pyrrole-2-carboxylic acid, 1-methyl-4-nitro-
Brand: Angene
SKU: AG000W2J
Rating: 90 (10 reviews)

1H-Pyrrole-2-carboxylic acid, 1-methyl-4-nitro-

CAS No.:

13138-78-8

Catalog Number:

AG000W2J

Molecular Formula:

C6H6N2O4

Molecular Weight:

170.1228

Catalog Number:

AG000W2J

Chemical Name:

1H-Pyrrole-2-carboxylic acid, 1-methyl-4-nitro-

CAS Number:

13138-78-8

Molecular Formula:

C6H6N2O4

Molecular Weight:

170.1228

MDL Number:

MFCD02180913

IUPAC Name:

1-methyl-4-nitropyrrole-2-carboxylic acid

InChI:

InChI=1S/C6H6N2O4/c1-7-3-4(8(11)12)2-5(7)6(9)10/h2-3H,1H3,(H,9,10)

InChI Key:

GEGNYFQOFWUIFG-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cn(c(c1)C(=O)O)C

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.124g/mol

Monoisotopic Mass:

170.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4