Home Carboxys 1H-Indole-6-carboxylic acid, 5-methyl-, methyl ester

1H-Indole-6-carboxylic acid, 5-methyl-, methyl ester

CAS No.:
1227270-85-0
Catalog Number:
AG000J6W
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG000J6W
Chemical Name:
1H-Indole-6-carboxylic acid, 5-methyl-, methyl ester
CAS Number:
1227270-85-0
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD16875917
IUPAC Name:
methyl 5-methyl-1H-indole-6-carboxylate
InChI:
InChI=1S/C11H11NO2/c1-7-5-8-3-4-12-10(8)6-9(7)11(13)14-2/h3-6,12H,1-2H3
InChI Key:
NOFDJMZPCVKDRN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]ccc2cc1C
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:
2.3  
Properties