Home Carboxys 3-methyl-5-(propan-2-yl)-1H-indole-2-carboxylic acid

3-methyl-5-(propan-2-yl)-1H-indole-2-carboxylic acid

CAS No.:
1368590-67-3
Catalog Number:
AG01BO5J
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
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Product Description
Catalog Number:
AG01BO5J
Chemical Name:
3-methyl-5-(propan-2-yl)-1H-indole-2-carboxylic acid
CAS Number:
1368590-67-3
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD21987441
IUPAC Name:
3-methyl-5-propan-2-yl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C13H15NO2/c1-7(2)9-4-5-11-10(6-9)8(3)12(14-11)13(15)16/h4-7,14H,1-3H3,(H,15,16)
InChI Key:
IWRLQPQJYPDWKK-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)c(C)c([nH]2)C(=O)O)C
Properties
Complexity:
277  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties