Home Carboxys 4-cyano-1H-indole-3-carboxylic acid

4-cyano-1H-indole-3-carboxylic acid

CAS No.:
110811-33-1
Catalog Number:
AG01BTDH
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BTDH
Chemical Name:
4-cyano-1H-indole-3-carboxylic acid
CAS Number:
110811-33-1
MDL Number:
MFCD20654284
IUPAC Name:
4-cyano-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C10H6N2O2/c11-4-6-2-1-3-8-9(6)7(5-12-8)10(13)14/h1-3,5,12H,(H,13,14)
InChI Key:
ZQMVSPJYPSBERW-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