Home Carboxys 6-acetyl-1H-Indole-2-carboxylic acid

6-acetyl-1H-Indole-2-carboxylic acid

CAS No.:
81223-71-4
Catalog Number:
AG00G8QC
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
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Product Description
Catalog Number:
AG00G8QC
Chemical Name:
6-acetyl-1H-Indole-2-carboxylic acid
CAS Number:
81223-71-4
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD18449912
IUPAC Name:
6-acetyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C11H9NO3/c1-6(13)7-2-3-8-5-10(11(14)15)12-9(8)4-7/h2-5,12H,1H3,(H,14,15)
InChI Key:
DTAKUXFNRLNAJT-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)[nH]c(c2)C(=O)O
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:
2  
Properties