Home Carboxys 3,3-dimethyl-3H-indole-2-carboxylic acid

3,3-dimethyl-3H-indole-2-carboxylic acid

CAS No.:
66997-24-8
Catalog Number:
AG01AGA5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG01AGA5
Chemical Name:
3,3-dimethyl-3H-indole-2-carboxylic acid
CAS Number:
66997-24-8
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD20646626
IUPAC Name:
3,3-dimethylindole-2-carboxylic acid
InChI:
InChI=1S/C11H11NO2/c1-11(2)7-5-3-4-6-8(7)12-9(11)10(13)14/h3-6H,1-2H3,(H,13,14)
InChI Key:
LZTJAXFZWVNSRF-UHFFFAOYSA-N
SMILES:
OC(=O)C1=Nc2c(C1(C)C)cccc2
Properties
Complexity:
294  
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:
3  
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:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties