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78348-24-0 | 1H-Indole-2-carboxylic acid, 2,3-dihydro-
CAS No: 78348-24-0 Catalog No: AG001Y3Q MDL No:MFCD00010635
Product Description
Catalog Number:
AG001Y3Q
Chemical Name:
1H-Indole-2-carboxylic acid, 2,3-dihydro-
CAS Number:
78348-24-0
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00010635
IUPAC Name:
2,3-dihydro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)
InChI Key:
QNRXNRGSOJZINA-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(N1)cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Conformational preferences of proline derivatives incorporated into vasopressin analogues: NMR and molecular modelling studies. | Chemical biology & drug design 20120401 |
| Brønsted acid-catalyzed decarboxylative redox amination: formation of N-alkylindoles from azomethine ylides by isomerization. | The Journal of organic chemistry 20110218 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Conformational preferences of proline analogues with a fused benzene ring. | The journal of physical chemistry. B 20100916 |
| Total synthesis of (+)-benzastatin E via diastereoselective Grignard addition to 2-acylindoline. | Organic letters 20030206 |
| Dual enantioselective control in asymmetric synthesis. | Accounts of chemical research 20011201 |
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