Methyl 3-Formyl-1H-indole-5-carboxylate - CAS 197506-83-5
Catalog: |
BB015257 |
Product Name: |
Methyl 3-Formyl-1H-indole-5-carboxylate |
CAS: |
197506-83-5 |
Synonyms: |
3-formyl-1H-indole-5-carboxylic acid methyl ester; methyl 3-formyl-1H-indole-5-carboxylate |
IUPAC Name: | methyl 3-formyl-1H-indole-5-carboxylate |
Description: | Methyl 3-Formyl-1H-indole-5-carboxylate (CAS# 197506-83-5) is a useful research chemical. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)NC=C2C=O |
InChI: | InChI=1S/C11H9NO3/c1-15-11(14)7-2-3-10-9(4-7)8(6-13)5-12-10/h2-6,12H,1H3 |
InChI Key: | UGLRSYDAOVKFIJ-UHFFFAOYSA-N |
Boiling Point: | 404.4 ℃ at 760 mmHg |
Density: | 1.341 g/cm3 |
MDL: | MFCD00211075 |
LogP: | 1.76700 |
Publication Number | Title | Priority Date |
AU-2017213768-A1 | Benzopyrazole compounds and analogues thereof | 20160201 |
EP-3411411-A1 | Benzopyrazole compounds and analogues thereof | 20160201 |
JP-2019507130-A | Benzopyrazole compounds and their analogues | 20160201 |
KR-20180117624-A | Benzopyrazole compounds and analogues thereof | 20160201 |
US-2019142802-A1 | Benzopyrazole compounds and analogues thereof | 20160201 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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