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136831-13-5 | 1H-Indole-2-carboxylic acid, 4-Methyl-, Methyl ester
CAS No: 136831-13-5 Catalog No: AG0012FO MDL No:MFCD04966966
Product Description
Catalog Number:
AG0012FO
Chemical Name:
1H-Indole-2-carboxylic acid, 4-Methyl-, Methyl ester
CAS Number:
136831-13-5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD04966966
IUPAC Name:
methyl 4-methyl-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H11NO2/c1-7-4-3-5-9-8(7)6-10(12-9)11(13)14-2/h3-6,12H,1-2H3
InChI Key:
JQTOCKRAYJKZOI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)cccc2C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis of the 2,3,4-trisubstituted indole fragments of nosiheptide and glycothiohexide. | Organic & biomolecular chemistry 20040307 |
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