Home Carboxys 1H-Indole-2-carboxylic acid, 1,3-dimethyl-

1H-Indole-2-carboxylic acid, 1,3-dimethyl-

CAS No.:
204919-54-0
Catalog Number:
AG0029RF
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG0029RF
Chemical Name:
1H-Indole-2-carboxylic acid, 1,3-dimethyl-
CAS Number:
204919-54-0
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD10686631
IUPAC Name:
1,3-dimethylindole-2-carboxylic acid
InChI:
InChI=1S/C11H11NO2/c1-7-8-5-3-4-6-9(8)12(2)10(7)11(13)14/h3-6H,1-2H3,(H,13,14)
InChI Key:
GUAVXCSZSKSTBL-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)c2c(n1C)cccc2
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:
2.2  
Properties