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1105192-45-7,MFCD16653131
Catalog No.:AA01AQD3
1105192-45-7 | 3-Acetyl-1h-indole-6-carboxylic acid
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  • Technical Information
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Technical Information
Catalog Number:
AA01AQD3
Chemical Name:
3-Acetyl-1h-indole-6-carboxylic acid
CAS Number:
1105192-45-7
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD16653131
IUPAC Name:
3-acetyl-1H-indole-6-carboxylic acid
InChI:
InChI=1S/C11H9NO3/c1-6(13)9-5-12-10-4-7(11(14)15)2-3-8(9)10/h2-5,12H,1H3,(H,14,15)
InChI Key:
PSFFTDLDFVWLPL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)[nH]cc2C(=O)C
Properties
Computed Properties
 
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
3-acetyl-1H-indole-6-carboxylic acid 
1105192-45-7 
SCHEMBL17025018 
ZINC26423469 
AKOS005208103 
F2158-0317 
Literature
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