Methyl indole-6-carboxylate - CAS 50820-65-0
Catalog: |
BB027227 |
Product Name: |
Methyl indole-6-carboxylate |
CAS: |
50820-65-0 |
Synonyms: |
methyl 1H-indole-6-carboxylate |
IUPAC Name: | methyl 1H-indole-6-carboxylate |
Description: | An indole compound for treating pain, inflammation and other conditions. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)C=CN2 |
InChI: | InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3 |
InChI Key: | AYYOZKHMSABVRP-UHFFFAOYSA-N |
Boiling Point: | 331.7 °C at 760 mmHg |
Density: | 1.253 g/cm3 |
MDL: | MFCD00211063 |
LogP: | 1.95450 |
GHS Hazard Statement: | H315 (97.62%): 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 |
CN-112608311-A | Chiral [3.3.1] azacycloindole alkaloid derivative and preparation method and application thereof | 20201223 |
CN-112251771-A | Method for synthesizing C-2 bromo-indole by using electrochemical microchannel device | 20201026 |
CN-111620885-A | Poly R-indole blue light absorber and preparation method and application thereof | 20200630 |
WO-2021202977-A1 | Pyrrolopyrimidine amines as complement inhibitors | 20200403 |
WO-2021132627-A1 | Method for culturing hematopoietic stem cells | 20191226 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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