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N-Acetylindoline-2-carboxylic acid

CAS No.:
82923-75-9
Catalog Number:
AG005EP3
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 95%
1 week
United States
$133
- +
250mg
≥ 95%
1 week
United States
$213
- +
1g
≥ 95%
1 week
United States
$403
- +
5g
≥ 95%
1 week
United States
$1493
- +
Product Description
Catalog Number:
AG005EP3
Chemical Name:
N-Acetylindoline-2-carboxylic acid
CAS Number:
82923-75-9
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD02258918
IUPAC Name:
1-acetyl-2,3-dihydroindole-2-carboxylic acid
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)
InChI Key:
OGMIMMRKTFZDKW-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(Cc2c1cccc2)C(=O)O
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Design of N-spiro C2-symmetric chiral quaternary ammonium bromides as novel chiral phase-transfer catalysts: synthesis and application to practical asymmetric synthesis of alpha-amino acids. Journal of the American Chemical Society 20030430
Properties