Name: Name:2-[(1-methyl-4-nitro-1H-pyrrol-2-yl)formamido]acetic acid
Brand: Angene
SKU: AG019PKR
Rating: 90 (10 reviews)

2-[(1-methyl-4-nitro-1H-pyrrol-2-yl)formamido]acetic acid

CAS No.:

98488-59-6

Catalog Number:

AG019PKR

Molecular Formula:

C8H9N3O5

Molecular Weight:

227.1742

Catalog Number:

AG019PKR

Chemical Name:

2-[(1-methyl-4-nitro-1H-pyrrol-2-yl)formamido]acetic acid

CAS Number:

98488-59-6

Molecular Formula:

C8H9N3O5

Molecular Weight:

227.1742

MDL Number:

MFCD08246135

IUPAC Name:

2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]acetic acid

InChI:

InChI=1S/C8H9N3O5/c1-10-4-5(11(15)16)2-6(10)8(14)9-3-7(12)13/h2,4H,3H2,1H3,(H,9,14)(H,12,13)

InChI Key:

QDACBBDMVZBXBY-UHFFFAOYSA-N

SMILES:

OC(=O)CNC(=O)c1cc(cn1C)[N+](=O)[O-]

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.176g/mol

Monoisotopic Mass:

227.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3