Home Carboxys 3-cyano-1H-indole-2-carboxylic acid

3-cyano-1H-indole-2-carboxylic acid

CAS No.:
174094-28-1
Catalog Number:
AG01BRUT
Molecular Formula:
C10H6N2O2
Molecular Weight:
186.1668
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Product Description
Catalog Number:
AG01BRUT
Chemical Name:
3-cyano-1H-indole-2-carboxylic acid
CAS Number:
174094-28-1
Molecular Formula:
C10H6N2O2
Molecular Weight:
186.1668
MDL Number:
MFCD20645223
IUPAC Name:
3-cyano-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H6N2O2/c11-5-7-6-3-1-2-4-8(6)12-9(7)10(13)14/h1-4,12H,(H,13,14)
InChI Key:
REWOVIRPQVDGPH-UHFFFAOYSA-N
SMILES:
N#Cc1c([nH]c2c1cccc2)C(=O)O
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:
1.6  
Properties