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

6-(pentyloxy)-1H-indole-2-carboxylic acid

CAS No.:
383133-78-6
Catalog Number:
AG00I7L9
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
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Product Description
Catalog Number:
AG00I7L9
Chemical Name:
6-(pentyloxy)-1H-indole-2-carboxylic acid
CAS Number:
383133-78-6
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD02664539
IUPAC Name:
6-pentoxy-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C14H17NO3/c1-2-3-4-7-18-11-6-5-10-8-13(14(16)17)15-12(10)9-11/h5-6,8-9,15H,2-4,7H2,1H3,(H,16,17)
InChI Key:
QPNSGTAFBVDGOQ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc2c(c1)[nH]c(c2)C(=O)O
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties