Methyl 7-Methoxyindole-5-carboxylate - CAS 180624-24-2
Catalog: |
BB013728 |
Product Name: |
Methyl 7-Methoxyindole-5-carboxylate |
CAS: |
180624-24-2 |
Synonyms: |
7-methoxy-1H-indole-5-carboxylic acid methyl ester; methyl 7-methoxy-1H-indole-5-carboxylate |
IUPAC Name: | methyl 7-methoxy-1H-indole-5-carboxylate |
Description: | Methyl 7-Methoxyindole-5-carboxylate (CAS# 180624-24-2 ) is a useful research chemical. |
Molecular Weight: | 205.21 |
Molecular Formula: | C11H11NO3 |
Canonical SMILES: | COC1=C2C(=CC(=C1)C(=O)OC)C=CN2 |
InChI: | InChI=1S/C11H11NO3/c1-14-9-6-8(11(13)15-2)5-7-3-4-12-10(7)9/h3-6,12H,1-2H3 |
InChI Key: | MLHFMFQDMLBLID-UHFFFAOYSA-N |
LogP: | 1.96310 |
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 |
US-10358453-B2 | Antiviral compounds | 20150225 |
US-2016244460-A1 | Antiviral compounds | 20150225 |
WO-2016138158-A1 | Antiviral compounds | 20150225 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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