Home Carboxys 5-ethoxy-1H-indole-3-carboxylic acid

5-ethoxy-1H-indole-3-carboxylic acid

CAS No.:
92288-43-2
Catalog Number:
AG00H116
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
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Product Description
Catalog Number:
AG00H116
Chemical Name:
5-ethoxy-1H-indole-3-carboxylic acid
CAS Number:
92288-43-2
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD16876880
IUPAC Name:
5-ethoxy-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C11H11NO3/c1-2-15-7-3-4-10-8(5-7)9(6-12-10)11(13)14/h3-6,12H,2H2,1H3,(H,13,14)
InChI Key:
IQFSHMJXPBKVBM-UHFFFAOYSA-N
SMILES:
CCOc1cc2c(c[nH]c2cc1)C(=O)O
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties