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122628-50-6 | 1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-4,5-dioxo-, sodium salt (1:2)
CAS No: 122628-50-6 Catalog No: AG0017K8 MDL No:MFCD00151711
Product Description
Catalog Number:
AG0017K8
Chemical Name:
1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-4,5-dioxo-, sodium salt (1:2)
CAS Number:
122628-50-6
Molecular Formula:
C14H4N2Na2O8
Molecular Weight:
374.1697
MDL Number:
MFCD00151711
IUPAC Name:
disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate
InChI:
InChI=1S/C14H6N2O8.2Na/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18;;/h1-2,15H,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2
InChI Key:
UFVBOGYDCJNLPM-UHFFFAOYSA-L
SMILES:
OC(=O)c1cc(nc2c1c1[nH]c(cc1C(=O)C2=O)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.976g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.172g/mol
Monoisotopic Mass:
373.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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