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16382-18-6 | 1H-Indole-2-carboxylic acid, 5,6-dimethoxy-, ethyl ester
CAS No: 16382-18-6 Catalog No: AG001UFL MDL No:MFCD00015457
Product Description
Catalog Number:
AG001UFL
Chemical Name:
1H-Indole-2-carboxylic acid, 5,6-dimethoxy-, ethyl ester
CAS Number:
16382-18-6
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD00015457
IUPAC Name:
ethyl 5,6-dimethoxy-1H-indole-2-carboxylate
InChI:
InChI=1S/C13H15NO4/c1-4-18-13(15)10-5-8-6-11(16-2)12(17-3)7-9(8)14-10/h5-7,14H,4H2,1-3H3
InChI Key:
RBUSDPZPBBBAKR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)cc(c(c2)OC)OC
EC Number:
240-430-8
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Multiple tyrosine metabolites are GPR35 agonists. | Scientific reports 20120101 |
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