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82923-75-9 | 1H-Indole-2-carboxylicacid, 1-acetyl-2,3-dihydro-
CAS No: 82923-75-9 Catalog No: AG005EP3 MDL No:MFCD02258918
Product Description
Catalog Number:
AG005EP3
Chemical Name:
1H-Indole-2-carboxylicacid, 1-acetyl-2,3-dihydro-
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 |
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