Home Carboxys 1-(2-methylpropyl)-1H-indole-4-carboxylic acid

1-(2-methylpropyl)-1H-indole-4-carboxylic acid

CAS No.:
1096867-62-7
Catalog Number:
AG01BF78
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
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Product Description
Catalog Number:
AG01BF78
Chemical Name:
1-(2-methylpropyl)-1H-indole-4-carboxylic acid
CAS Number:
1096867-62-7
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD11641386
IUPAC Name:
1-(2-methylpropyl)indole-4-carboxylic acid
InChI:
InChI=1S/C13H15NO2/c1-9(2)8-14-7-6-10-11(13(15)16)4-3-5-12(10)14/h3-7,9H,8H2,1-2H3,(H,15,16)
InChI Key:
GLMPHWJHKVSQNE-UHFFFAOYSA-N
SMILES:
CC(Cn1ccc2c1cccc2C(=O)O)C
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties