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117140-77-9 | 1H-Indole-2,5-dicarboxylic acid
CAS No: 117140-77-9 Catalog No: AG000DSU MDL No:MFCD02664447
Product Description
Catalog Number:
AG000DSU
Chemical Name:
1H-Indole-2,5-dicarboxylic acid
CAS Number:
117140-77-9
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
MDL Number:
MFCD02664447
IUPAC Name:
1H-indole-2,5-dicarboxylic acid
InChI:
InChI=1S/C10H7NO4/c12-9(13)5-1-2-7-6(3-5)4-8(11-7)10(14)15/h1-4,11H,(H,12,13)(H,14,15)
InChI Key:
MUABQYJAPOQWCH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)cc([nH]2)C(=O)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial activity of some netropsin analogues. | Organic & biomolecular chemistry 20041107 |
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