Home Carboxys 1-(propan-2-yl)-1H-indole-6-carboxylic acid

1-(propan-2-yl)-1H-indole-6-carboxylic acid

CAS No.:
1030423-73-4
Catalog Number:
AG00VVHS
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
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Product Description
Catalog Number:
AG00VVHS
Chemical Name:
1-(propan-2-yl)-1H-indole-6-carboxylic acid
CAS Number:
1030423-73-4
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD11043021
IUPAC Name:
1-propan-2-ylindole-6-carboxylic acid
InChI:
InChI=1S/C12H13NO2/c1-8(2)13-6-5-9-3-4-10(12(14)15)7-11(9)13/h3-8H,1-2H3,(H,14,15)
InChI Key:
WUGHVWTWRRQKDA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)n(cc2)C(C)C
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties