Home Carboxys 6-Butoxy-1h-indole-2-carboxylic acid

6-Butoxy-1h-indole-2-carboxylic acid

CAS No.:
383133-76-4
Catalog Number:
AG00I7L8
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
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Product Description
Catalog Number:
AG00I7L8
Chemical Name:
6-Butoxy-1h-indole-2-carboxylic acid
CAS Number:
383133-76-4
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD02664538
IUPAC Name:
6-butoxy-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C13H15NO3/c1-2-3-6-17-10-5-4-9-7-12(13(15)16)14-11(9)8-10/h4-5,7-8,14H,2-3,6H2,1H3,(H,15,16)
InChI Key:
CXDXQPSXSRFSQF-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2c(c1)[nH]c(c2)C(=O)O
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties