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20357-15-7 | 1H-Indole-3-carboxylic acid, 1,2-dimethyl-
CAS No: 20357-15-7 Catalog No: AG0028ZS MDL No:MFCD00756896
Product Description
Catalog Number:
AG0028ZS
Chemical Name:
1H-Indole-3-carboxylic acid, 1,2-dimethyl-
CAS Number:
20357-15-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00756896
IUPAC Name:
1,2-dimethylindole-3-carboxylic acid
InChI:
InChI=1S/C11H11NO2/c1-7-10(11(13)14)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3,(H,13,14)
InChI Key:
XYRXQPDMBJNYIU-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)n(c2c1cccc2)C
Properties
Complexity:
241
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:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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