2,3-dioxoindoline-7-carboxylic acid - CAS 25128-35-2
Catalog: |
BB018755 |
Product Name: |
2,3-dioxoindoline-7-carboxylic acid |
CAS: |
25128-35-2 |
Synonyms: |
2,3-dioxo-1H-indole-7-carboxylic acid; 2,3-dioxo-1H-indole-7-carboxylic acid |
IUPAC Name: | 2,3-dioxo-1H-indole-7-carboxylic acid |
Description: | 2,3-dioxoindoline-7-carboxylic acid (CAS# 25128-35-2) is a useful research chemical. |
Molecular Weight: | 191.14 |
Molecular Formula: | C9H5NO4 |
Canonical SMILES: | C1=CC2=C(C(=C1)C(=O)O)NC(=O)C2=O |
InChI: | InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12) |
InChI Key: | ROODQCZSWXEDJL-UHFFFAOYSA-N |
Melting Point: | 268-275 °C |
Purity: | 98 % |
Density: | 1.592 g/cm3 |
MDL: | MFCD00612492 |
LogP: | 0.65760 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2012232052-A1 | Aryl carboxamide derivatives as ttx-s blockers | 20091116 |
US-9051296-B2 | Aryl carboxamide derivatives as TTX-S blockers | 20091116 |
CN-102292397-A | Organic black pigments and their preparation | 20090119 |
EP-2387600-A2 | Organic black pigments and their preparation | 20090119 |
EP-2387600-B1 | Organic black pigments and their preparation | 20090119 |
PMID | Publication Date | Title | Journal |
17378546 | 20070419 | Selective inhibition of carboxylesterases by isatins, indole-2,3-diones | Journal of medicinal chemistry |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.02185764 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.02185764 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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