200,000+ products from a single source!
sales@angenechem.com
116451-28-6 | 1H-Pyrrolo[2,3-f]quinoline-7,9-dicarboxylic acid, 4,5-dihydro-4,5-dioxo-
CAS No: 116451-28-6 Catalog No: AG000CJI MDL No:
Product Description
Catalog Number:
AG000CJI
Chemical Name:
1H-Pyrrolo[2,3-f]quinoline-7,9-dicarboxylic acid, 4,5-dihydro-4,5-dioxo-
CAS Number:
116451-28-6
Molecular Formula:
C13H6N2O6
Molecular Weight:
286.1965
IUPAC Name:
4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylic acid
InChI:
InChI=1S/C13H6N2O6/c16-10-4-1-2-14-8(4)7-5(12(18)19)3-6(13(20)21)15-9(7)11(10)17/h1-3,14H,(H,18,19)(H,20,21)
InChI Key:
IFYQITBEOBQUMC-UHFFFAOYSA-N
SMILES:
O=C1C(=O)c2cc[nH]c2c2c1nc(cc2C(=O)O)C(=O)O
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.023g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.199g/mol
Monoisotopic Mass:
286.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.