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CAS No.:
959238-64-3
Catalog Number:
AG01DXEU
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DXEU
CAS Number:
959238-64-3
MDL Number:
MFCD09954939
IUPAC Name:
7-cyano-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C10H6N2O2/c11-4-6-2-1-3-7-8(10(13)14)5-12-9(6)7/h1-3,5,12H,(H,13,14)
InChI Key:
ZADAEINCNCNJPT-UHFFFAOYSA-N
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
186.17g/mol
Monoisotopic Mass:
186.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties