3-(4-Methyl-3-indolyl)propanoic Acid - CAS 151590-25-9
Catalog: |
BB010688 |
Product Name: |
3-(4-Methyl-3-indolyl)propanoic Acid |
CAS: |
151590-25-9 |
Synonyms: |
3-(4-methyl-1H-indol-3-yl)propanoic acid; 3-(4-methyl-1H-indol-3-yl)propanoic acid |
IUPAC Name: | 3-(4-methyl-1H-indol-3-yl)propanoic acid |
Description: | 3-(4-Methyl-3-indolyl)propanoic Acid (CAS# 151590-25-9) is a useful research chemical. |
Molecular Weight: | 203.24 |
Molecular Formula: | C12H13NO2 |
Canonical SMILES: | CC1=C2C(=CC=C1)NC=C2CCC(=O)O |
InChI: | InChI=1S/C12H13NO2/c1-8-3-2-4-10-12(8)9(7-13-10)5-6-11(14)15/h2-4,7,13H,5-6H2,1H3,(H,14,15) |
InChI Key: | NENSGINLKGHXBM-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2021108237-A1 | Whole cell processes to produce nitroaromatics | 20180321 |
US-10550079-B2 | Artificial self-sufficient cytochrome P450s | 20150219 |
US-2019119208-A1 | Artificial self-sufficient cytochrome p450s | 20150219 |
AU-2012367780-B2 | Derivatives of aza adamantane and uses thereof | 20111222 |
AU-2012372019-A1 | Cyclic amide derivatives as inhibitors of 11 - beta - hydroxysteroid dehydrogenase and uses thereof | 20111222 |
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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