Home Carboxys 1H-Indole-3-carboxylic acid, 1-ethyl-

1H-Indole-3-carboxylic acid, 1-ethyl-

CAS No.:
132797-91-2
Catalog Number:
AG001173
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG001173
Chemical Name:
1H-Indole-3-carboxylic acid, 1-ethyl-
CAS Number:
132797-91-2
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD04035647
IUPAC Name:
1-ethylindole-3-carboxylic acid
InChI:
InChI=1S/C11H11NO2/c1-2-12-7-9(11(13)14)8-5-3-4-6-10(8)12/h3-7H,2H2,1H3,(H,13,14)
InChI Key:
TWVUTEBEOYXQDC-UHFFFAOYSA-N
SMILES:
CCn1cc(c2c1cccc2)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