1-acetylindoline-5-carboxylic acid - CAS 153247-93-9
Catalog: |
BB010867 |
Product Name: |
1-acetylindoline-5-carboxylic acid |
CAS: |
153247-93-9 |
Synonyms: |
1-acetyl-2,3-dihydroindole-5-carboxylic acid; 1-acetyl-2,3-dihydroindole-5-carboxylic acid |
IUPAC Name: | 1-acetyl-2,3-dihydroindole-5-carboxylic acid |
Description: | 1-acetylindoline-5-carboxylic acid (CAS# 153247-93-9) is a useful research chemical. |
Molecular Weight: | 205.21 |
Molecular Formula: | C11H11NO3 |
Canonical SMILES: | CC(=O)N1CCC2=C1C=CC(=C2)C(=O)O |
InChI: | InChI=1S/C11H11NO3/c1-7(13)12-5-4-8-6-9(11(14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3,(H,14,15) |
InChI Key: | KRXHHESVJTVORG-UHFFFAOYSA-N |
LogP: | 1.35880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021072369-A1 | Lpxh targeting compounds, compositions thereof, and methods of making and using the same | 20191011 |
AU-2004209456-A1 | Quinoline-derived amide modulators of vanilloid VR1 receptor | 20030203 |
CA-2514940-A1 | Quinoline-derived amide modulators of vanilloid vr1 receptor | 20030203 |
AU-2004207731-A1 | Compound inhibiting dipeptidyl peptidase iv | 20030131 |
AU-2004207731-B2 | Compound inhibiting dipeptidyl peptidase iv | 20030131 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.07389321 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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