Methyl 6-Methylindole-3-acetate - CAS 1780817-34-6
Catalog: |
BB013395 |
Product Name: |
Methyl 6-Methylindole-3-acetate |
CAS: |
1780817-34-6 |
Synonyms: |
2-(6-methyl-1H-indol-3-yl)acetic acid methyl ester; methyl 2-(6-methyl-1H-indol-3-yl)acetate |
IUPAC Name: | methyl 2-(6-methyl-1H-indol-3-yl)acetate |
Description: | Methyl 6-Methylindole-3-acetate (CAS# 1780817-34-6 ) is a useful research chemical. |
Molecular Weight: | 203.24 |
Molecular Formula: | C12H13NO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)C(=CN2)CC(=O)OC |
InChI: | InChI=1S/C12H13NO2/c1-8-3-4-10-9(6-12(14)15-2)7-13-11(10)5-8/h3-5,7,13H,6H2,1-2H3 |
InChI Key: | QQKKAJLJPXGMDF-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2007054902-A1 | Isoxazole derivatives as peroxisome proliferator-activated receptors agonists | 20031202 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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