Methyl Oxindole-5-carboxylate - CAS 199328-10-4
Catalog: |
BB015390 |
Product Name: |
Methyl Oxindole-5-carboxylate |
CAS: |
199328-10-4 |
Synonyms: |
2-oxo-1,3-dihydroindole-5-carboxylic acid methyl ester; methyl 2-oxo-1,3-dihydroindole-5-carboxylate |
IUPAC Name: | methyl 2-oxo-1,3-dihydroindole-5-carboxylate |
Description: | Methyl Oxindole-5-carboxylate (CAS# 199328-10-4) is a useful research chemical. |
Molecular Weight: | 191.18 |
Molecular Formula: | C10H9NO3 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)NC(=O)C2 |
InChI: | InChI=1S/C10H9NO3/c1-14-10(13)6-2-3-8-7(4-6)5-9(12)11-8/h2-4H,5H2,1H3,(H,11,12) |
InChI Key: | CYBPPDZFRDSSME-UHFFFAOYSA-N |
Boiling Point: | 405.6 ℃ at 760 mmHg |
Density: | 1.283 g/cm3 |
Appearance: | Light pink powder |
MDL: | MFCD02179600 |
LogP: | 1.10580 |
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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020068950-A1 | Hdac1,2 inhibitors | 20180925 |
EP-3856174-A1 | Hdac1,2 inhibitors | 20180925 |
AU-2018246053-A1 | IP6K inhibitors | 20170330 |
CA-3057821-A1 | Ip6k inhibitors | 20170330 |
CN-110461828-A | IP6K inhibitor | 20170330 |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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