3-(1H-Indol-3-yl)-4-methylpentanoic acid - CAS 878618-91-8
Catalog: |
BB047684 |
Product Name: |
3-(1H-Indol-3-yl)-4-methylpentanoic acid |
CAS: |
878618-91-8 |
Synonyms: |
3-indol-3-yl-4-methylpentanoic acid; 3-(1H-Indol-3-yl)-4-methyl-pentanoic acid |
IUPAC Name: | 3-(1H-indol-3-yl)-4-methylpentanoic acid |
Description: | 3-(1H-Indol-3-yl)-4-methylpentanoic acid (CAS# 878618-91-8 ) is a useful research chemical. |
Molecular Weight: | 231.29 |
Molecular Formula: | C14H17NO2 |
Canonical SMILES: | CC(C)C(CC(=O)O)C1=CNC2=CC=CC=C21 |
InChI: | InChI=1S/C14H17NO2/c1-9(2)11(7-14(16)17)12-8-15-13-6-4-3-5-10(12)13/h3-6,8-9,11,15H,7H2,1-2H3,(H,16,17) |
InChI Key: | FHQYOYXBMOXDKF-UHFFFAOYSA-N |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.125928785 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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