Home Carboxys 1H-Indole-5-carboxylic acid, 1-ethyl-

1H-Indole-5-carboxylic acid, 1-ethyl-

CAS No.:
263021-42-7
Catalog Number:
AG002SN1
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG002SN1
Chemical Name:
1H-Indole-5-carboxylic acid, 1-ethyl-
CAS Number:
263021-42-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
1-ethylindole-5-carboxylic acid
InChI:
InChI=1S/C11H11NO2/c1-2-12-6-5-8-7-9(11(13)14)3-4-10(8)12/h3-7H,2H2,1H3,(H,13,14)
InChI Key:
CJGIYGDTQFKWED-UHFFFAOYSA-N
SMILES:
CCn1ccc2c1ccc(c2)C(=O)O
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties