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2861-59-8 | 1H-Indole-1-carboxaldehyde, 2,3-dihydro-
CAS No: 2861-59-8 Catalog No: AG002VVD MDL No:MFCD01318150
Product Description
Catalog Number:
AG002VVD
Chemical Name:
1H-Indole-1-carboxaldehyde, 2,3-dihydro-
CAS Number:
2861-59-8
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD01318150
IUPAC Name:
2,3-dihydroindole-1-carbaldehyde
InChI:
InChI=1S/C9H9NO/c11-7-10-6-5-8-3-1-2-4-9(8)10/h1-4,7H,5-6H2
InChI Key:
DGCIPHNRGLERLO-UHFFFAOYSA-N
SMILES:
O=CN1CCc2c1cccc2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Study of a novel indolin-2-ketone compound Z24 induced hepatotoxicity by NMR-spectroscopy-based metabonomics of rat urine, blood plasma, and liver extracts. | Toxicology and applied pharmacology 20060815 |
| Preparation of 7-Halo-indoles by Thallation of N-formylindoline and their attempted use for synthesis of the right-hand segment of chloropeptin. | Chemical & pharmaceutical bulletin 20060601 |
| Radical ring closures of 4-isocyanato carbon-centered radicals. | The Journal of organic chemistry 20030404 |
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