3-(6-Methyl-3-indolyl)propanoic Acid - CAS 151590-29-3
Catalog: |
BB010691 |
Product Name: |
3-(6-Methyl-3-indolyl)propanoic Acid |
CAS: |
151590-29-3 |
Synonyms: |
3-(6-methyl-1H-indol-3-yl)propanoic acid; 3-(6-methyl-1H-indol-3-yl)propanoic acid |
IUPAC Name: | 3-(6-methyl-1H-indol-3-yl)propanoic acid |
Description: | 3-(6-Methyl-3-indolyl)propanoic Acid (CAS# 151590-29-3) is a useful research chemical. |
Molecular Weight: | 203.24 |
Molecular Formula: | C12H13NO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O |
InChI: | InChI=1S/C12H13NO2/c1-8-2-4-10-9(3-5-12(14)15)7-13-11(10)6-8/h2,4,6-7,13H,3,5H2,1H3,(H,14,15) |
InChI Key: | BZQVNBRRLIMNAA-UHFFFAOYSA-N |
LogP: | 2.49350 |
Publication Number | Title | Priority Date |
US-2021108237-A1 | Whole cell processes to produce nitroaromatics | 20180321 |
WO-2018081456-A1 | Highly active self-sufficient nitration biocatalysts | 20161026 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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