2-Oxoindoline-4-carboxylic Acid - CAS 90322-37-5
Catalog: |
BB039815 |
Product Name: |
2-Oxoindoline-4-carboxylic Acid |
CAS: |
90322-37-5 |
Synonyms: |
2-oxo-1,3-dihydroindole-4-carboxylic acid; 2-oxo-1,3-dihydroindole-4-carboxylic acid |
IUPAC Name: | 2-oxo-1,3-dihydroindole-4-carboxylic acid |
Description: | 2-Oxoindoline-4-carboxylic Acid (CAS# 90322-37-5) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | C1C2=C(C=CC=C2NC1=O)C(=O)O |
InChI: | InChI=1S/C9H7NO3/c11-8-4-6-5(9(12)13)2-1-3-7(6)10-8/h1-3H,4H2,(H,10,11)(H,12,13) |
InChI Key: | ALXJUSWINGKGAW-UHFFFAOYSA-N |
Density: | 1.433 g/cm3 |
LogP: | 1.01740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
WO-2019243841-A1 | Novel compounds | 20180622 |
AU-2019289228-A1 | Novel compounds | 20180622 |
BR-112020026314-A2 | NEW COMPOUNDS | 20180622 |
EP-3810131-A1 | Novel compounds | 20180622 |
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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