2-(5-(Benzyloxy)-6-methyl-1H-indol-3-yl)acetic acid - CAS 1417984-61-2
Catalog: |
BB044556 |
Product Name: |
2-(5-(Benzyloxy)-6-methyl-1H-indol-3-yl)acetic acid |
CAS: |
1417984-61-2 |
Synonyms: |
1H-Indole-3-acetic acid, 6-methyl-5-(phenylmethoxy)- |
IUPAC Name: | 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetic acid |
Description: | 2-(5-(Benzyloxy)-6-methyl-1H-indol-3-yl)acetic acid (CAS# 1417984-61-2 ) is a useful research chemical. |
Molecular Weight: | 295.33 |
Molecular Formula: | C18H17NO3 |
Canonical SMILES: | CC1=CC2=C(C=C1OCC3=CC=CC=C3)C(=CN2)CC(=O)O |
InChI: | InChI=1S/C18H17NO3/c1-12-7-16-15(14(10-19-16)8-18(20)21)9-17(12)22-11-13-5-3-2-4-6-13/h2-7,9-10,19H,8,11H2,1H3,(H,20,21) |
InChI Key: | JZZZQJCJGDDKFZ-UHFFFAOYSA-N |
Boiling Point: | 528.5±45.0 °C (Predicted) |
Purity: | 98 % |
Density: | 1.282±0.06 g/cm3 |
Complexity: | 381 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.1208434 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 62.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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