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18372-22-0 | Methyl 2-(1H-indol-3-yl)-2-oxoacetate
CAS No: 18372-22-0 Catalog No: AG003S0K MDL No:MFCD00047173
Product Description
Catalog Number:
AG003S0K
Chemical Name:
Methyl 2-(1H-indol-3-yl)-2-oxoacetate
CAS Number:
18372-22-0
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD00047173
IUPAC Name:
methyl 2-(1H-indol-3-yl)-2-oxoacetate
InChI:
InChI=1S/C11H9NO3/c1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9/h2-6,12H,1H3
InChI Key:
VFIJGAWYVXDYLK-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Marine pyrrolocarbazoles and analogues: synthesis and kinase inhibition. | Marine drugs 20091201 |
| Cyclization strategies for the synthesis of macrocyclic bisindolylmaleimides. | The Journal of organic chemistry 20010323 |
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