4,9-Dihydro-1,4-dioxo-1H-carbazole-8-acetic Acid - CAS 1293288-25-1
Catalog: |
BB067620 |
Product Name: |
4,9-Dihydro-1,4-dioxo-1H-carbazole-8-acetic Acid |
CAS: |
1293288-25-1 |
Synonyms: |
2-(1,4-Dioxo-4,9-dihydro-1H-carbazol-8-yl)acetic acid; 4,9-Dihydro-1,4-dioxo-1H-carbazole-8-acetic acid |
IUPAC Name: | 2-(5,8-dioxo-9H-carbazol-1-yl)acetic acid |
Description: | 4,9-Dihydro-1,4-dioxo-1H-carbazole-8-acetic Acid is one of diclofenac transformation products. |
Molecular Weight: | 255.23 |
Molecular Formula: | C14H9NO4 |
Canonical SMILES: | C1=CC(=C2C(=C1)C3=C(N2)C(=O)C=CC3=O)CC(=O)O |
InChI: | InChI=1S/C14H9NO4/c16-9-4-5-10(17)14-12(9)8-3-1-2-7(6-11(18)19)13(8)15-14/h1-5,15H,6H2,(H,18,19) |
InChI Key: | NAEXJYIJIONZJF-UHFFFAOYSA-N |
References: | Eriksson, J., et al. Photochem. Photobiol., 86, 528 (2010). |
Complexity: | 470 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 87.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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