1-Acetylindole-2-carboxylic Acid - CAS 10441-26-6
Catalog: |
BB001392 |
Product Name: |
1-Acetylindole-2-carboxylic Acid |
CAS: |
10441-26-6 |
Synonyms: |
1-acetyl-2-indolecarboxylic acid; 1-acetylindole-2-carboxylic acid |
IUPAC Name: | 1-acetylindole-2-carboxylic acid |
Description: | 1-Acetylindole-2-carboxylic Acid (CAS# 10441-26-6 ) is a useful research chemical. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | CC(=O)N1C2=CC=CC=C2C=C1C(=O)O |
InChI: | InChI=1S/C11H9NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-6H,1H3,(H,14,15) |
InChI Key: | KXHBYSRUWPZBMF-UHFFFAOYSA-N |
Boiling Point: | 400.4 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD02258917 |
LogP: | 1.99960 |
Publication Number | Title | Priority Date |
CN-112375028-A | Method for synthesizing (2S) -indoline-formic acid | 20201214 |
US-2009028796-A1 | Pesticidal composition comprising indole derivates | 20060130 |
AU-2003223602-B2 | Inhibitors of serine proteases, particularly hepatitis C virus NS3-NS4 protease | 20020411 |
AU-2003223602-B8 | Inhibitors of serine proteases, particularly hepatitis C virus NS3-NS4 protease | 20020411 |
EP-1497282-A2 | Inhibitors of serine protease, particularly hepatitis c virus ns3-ns4 protease | 20020411 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 59.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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