Name: Name:7-(2H-1,3-benzodioxol-5-yl)-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid
Brand: Angene
SKU: AG01AGS5
Rating: 90 (10 reviews)

7-(2H-1,3-benzodioxol-5-yl)-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid

CAS No.:

879303-83-0

Catalog Number:

AG01AGS5

Molecular Formula:

C16H11N3O6

Molecular Weight:

341.2750

Catalog Number:

AG01AGS5

Chemical Name:

7-(2H-1,3-benzodioxol-5-yl)-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid

CAS Number:

879303-83-0

Molecular Formula:

C16H11N3O6

Molecular Weight:

341.2750

MDL Number:

MFCD08258477

IUPAC Name:

7-(1,3-benzodioxol-5-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid

InChI:

InChI=1S/C16H11N3O6/c1-19-13-12(14(20)18-16(19)23)8(15(21)22)5-9(17-13)7-2-3-10-11(4-7)25-6-24-10/h2-5H,6H2,1H3,(H,21,22)(H,18,20,23)

InChI Key:

XGQIUHAEBPSHHW-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(nc2c1c(=O)[nH]c(=O)n2C)c1ccc2c(c1)OCO2

Complexity:

598

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

341.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

341.279g/mol

Monoisotopic Mass:

341.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9