3-Oxoisoindoline-4-carboxylic Acid - CAS 935269-27-5
Catalog: |
BB040953 |
Product Name: |
3-Oxoisoindoline-4-carboxylic Acid |
CAS: |
935269-27-5 |
Synonyms: |
3-oxo-1,2-dihydroisoindole-4-carboxylic acid; 3-oxo-1,2-dihydroisoindole-4-carboxylic acid |
IUPAC Name: | 3-oxo-1,2-dihydroisoindole-4-carboxylic acid |
Description: | 3-Oxoisoindoline-4-carboxylic Acid (CAS# 935269-27-5) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | C1C2=CC=CC(=C2C(=O)N1)C(=O)O |
InChI: | InChI=1S/C9H7NO3/c11-8-7-5(4-10-8)2-1-3-6(7)9(12)13/h1-3H,4H2,(H,10,11)(H,12,13) |
InChI Key: | SONYZPKBPBFLSS-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 0.63860 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2018102262-A1 | Inhibitors of protein arginine deiminases (pads) and methods of preparation and use thereof | 20161202 |
US-2020339518-A1 | Inhibitors of protein arginine deiminases (pads) and methods of preparation and use thereof | 20161202 |
KR-20150074174-A | 4-carboxamido-isoindolinone derivatives as selective parp-1 inhibitors | 20121026 |
US-2007161648-A1 | Substituted dihydro-isoindolones useful in treating kinase disorders | 20051014 |
WO-2007047646-A2 | Substituted dihydro-isoindolones useful in treating kinase disorders | 20051014 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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