Methyl 4-Hydroxyindole-6-carboxylate - CAS 77140-48-8
Catalog: |
BB035814 |
Product Name: |
Methyl 4-Hydroxyindole-6-carboxylate |
CAS: |
77140-48-8 |
Synonyms: |
4-hydroxy-1H-indole-6-carboxylic acid methyl ester; methyl 4-hydroxy-1H-indole-6-carboxylate |
IUPAC Name: | methyl 4-hydroxy-1H-indole-6-carboxylate |
Description: | Methyl 4-Hydroxyindole-6-carboxylate (CAS# 77140-48-8) is a useful research chemical. |
Molecular Weight: | 191.18 |
Molecular Formula: | C10H9NO3 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=CN2)C(=C1)O |
InChI: | InChI=1S/C10H9NO3/c1-14-10(13)6-4-8-7(2-3-11-8)9(12)5-6/h2-5,11-12H,1H3 |
InChI Key: | YCLHTEHHXRJHKC-UHFFFAOYSA-N |
MDL: | MFCD04973985 |
LogP: | 1.66010 |
Publication Number | Title | Priority Date |
AU-2014356583-A1 | New octahydro-cyclobuta (1,2-c;3,4-c')dipyrrol-2-yl | 20131126 |
AU-2014356583-B2 | New octahydro-cyclobuta (1,2-c;3,4-c')dipyrrol-2-yl | 20131126 |
CA-2923523-A1 | New octahydro-cyclobuta [1,2-c;3,4-c']dipyrrol-2-yl | 20131126 |
DK-3074400-T3 | Octahydro-cyclobuta [1,2-c; 3,4-c '] dipyrrole derivatives as autotaxin inhibitors | 20131126 |
EP-3074400-A1 | NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL | 20131126 |
Complexity: | 231 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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