(S)-1-Acetylindoline-2-carboxylic Acid - CAS 82950-72-9
Catalog: |
BB036941 |
Product Name: |
(S)-1-Acetylindoline-2-carboxylic Acid |
CAS: |
82950-72-9 |
Synonyms: |
(2S)-1-acetyl-2,3-dihydroindole-2-carboxylic acid; (2S)-1-acetyl-2,3-dihydroindole-2-carboxylic acid |
IUPAC Name: | (2S)-1-acetyl-2,3-dihydroindole-2-carboxylic acid |
Description: | (S)-1-Acetylindoline-2-carboxylic Acid (CAS# 82950-72-9 ) is a useful research chemical. |
Molecular Weight: | 205.21 |
Molecular Formula: | C11H11NO3 |
Canonical SMILES: | CC(=O)N1C(CC2=CC=CC=C21)C(=O)O |
InChI: | InChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m0/s1 |
InChI Key: | OGMIMMRKTFZDKW-JTQLQIEISA-N |
Boiling Point: | 494.135 ℃ at 760 mmHg |
Density: | 1.34 g/cm3 |
MDL: | MFCD04972422 |
LogP: | 1.11380 |
Publication Number | Title | Priority Date |
JP-2009278930-A | Process for producing optically active organic carboxylic acid from organic carboxylic acid ester | 20080523 |
JP-5266875-B2 | Process for producing optically active organic carboxylic acid from organic carboxylic acid ester | 20080523 |
CN-101939444-A | Process for production of optically active indoline-2-carboxylic acid or derivative thereof | 20080206 |
EP-2251431-A1 | Process for production of optically active indoline-2-carboxylic acid or derivative thereof | 20080206 |
JP-5093248-B2 | Process for producing optically active indoline-2-carboxylic acids or derivatives thereof | 20080206 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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