Name: Name:2-(3-nitro-4-oxo-1,4-dihydropyridin-1-yl)acetic acid
Brand: Angene
SKU: AG01A1SI
Rating: 90 (10 reviews)

2-(3-nitro-4-oxo-1,4-dihydropyridin-1-yl)acetic acid

CAS No.:

56187-56-5

Catalog Number:

AG01A1SI

Molecular Formula:

C7H6N2O5

Molecular Weight:

198.1329

Catalog Number:

AG01A1SI

Chemical Name:

2-(3-nitro-4-oxo-1,4-dihydropyridin-1-yl)acetic acid

CAS Number:

56187-56-5

Molecular Formula:

C7H6N2O5

Molecular Weight:

198.1329

MDL Number:

MFCD22565935

IUPAC Name:

2-(3-nitro-4-oxopyridin-1-yl)acetic acid

InChI:

InChI=1S/C7H6N2O5/c10-6-1-2-8(4-7(11)12)3-5(6)9(13)14/h1-3H,4H2,(H,11,12)

InChI Key:

ADWAAXYMXLDLFQ-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1ccc(=O)c(c1)[N+](=O)[O-]

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.134g/mol

Monoisotopic Mass:

198.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1