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88210-96-2 | 5,6-Dimethoxy-1H-indole-2-carboxylic acid
CAS No: 88210-96-2 Catalog No: AG003469 MDL No:MFCD00015459
Product Description
Catalog Number:
AG003469
Chemical Name:
5,6-Dimethoxy-1H-indole-2-carboxylic acid
CAS Number:
88210-96-2
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD00015459
IUPAC Name:
5,6-dimethoxy-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C11H11NO4/c1-15-9-4-6-3-8(11(13)14)12-7(6)5-10(9)16-2/h3-5,12H,1-2H3,(H,13,14)
InChI Key:
UZHQHNDRVITJPL-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]c(cc2cc1OC)C(=O)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Multiple tyrosine metabolites are GPR35 agonists. | Scientific reports 20120101 |
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