4-Methoxyindole-3-acetic Acid - CAS 17897-49-3
Catalog: |
BB013521 |
Product Name: |
4-Methoxyindole-3-acetic Acid |
CAS: |
17897-49-3 |
Synonyms: |
2-(4-methoxy-1H-indol-3-yl)acetic acid; 2-(4-methoxy-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(4-methoxy-1H-indol-3-yl)acetic acid |
Description: | 4-Methoxyindole-3-acetic Acid (CAS# 17897-49-3) is a useful research chemical. |
Molecular Weight: | 205.21 |
Molecular Formula: | C11H11NO3 |
Canonical SMILES: | COC1=CC=CC2=C1C(=CN2)CC(=O)O |
InChI: | InChI=1S/C11H11NO3/c1-15-9-4-2-3-8-11(9)7(6-12-8)5-10(13)14/h2-4,6,12H,5H2,1H3,(H,13,14) |
InChI Key: | LASOXKFMZMXTOD-UHFFFAOYSA-N |
LogP: | 1.80360 |
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 |
JP-2019510049-A | Benzo [a] indolo [2,3-g] quinolizine compounds, process for their preparation, drug compositions and their use | 20160330 |
JP-6837076-B2 | Benzo [a] Indoro [2,3-g] quinolizidine compounds, their production methods, drug compositions and their use | 20160330 |
EP-0950661-A1 | Substituted tricyclics useful in sPLA2 induced diseases | 19980417 |
EP-0950661-B1 | Substituted tricyclics useful in sPLA2 induced diseases | 19980417 |
EP-1156050-A2 | Substituted tricyclics useful in sPLA2 induced diseases | 19980417 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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