Home Carboxys 1H-Indole-3-carboxylic acid, 2-acetyl-

1H-Indole-3-carboxylic acid, 2-acetyl-

CAS No.:
78839-04-0
Catalog Number:
AG005DFB
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
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Product Description
Catalog Number:
AG005DFB
Chemical Name:
1H-Indole-3-carboxylic acid, 2-acetyl-
CAS Number:
78839-04-0
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD01449989
IUPAC Name:
2-acetyl-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C11H9NO3/c1-6(13)10-9(11(14)15)7-4-2-3-5-8(7)12-10/h2-5,12H,1H3,(H,14,15)
InChI Key:
SIFWJAMUHPEUPM-UHFFFAOYSA-N
SMILES:
OC(=O)c1c([nH]c2c1cccc2)C(=O)C
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  
Properties