Home Carboxys 3-Cyano-1h-indole-4-carboxylic acid

3-Cyano-1h-indole-4-carboxylic acid

CAS No.:
889942-85-2
Catalog Number:
AG00GV2R
Molecular Formula:
C10H6N2O2
Molecular Weight:
186.1668
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG00GV2R
Chemical Name:
3-Cyano-1h-indole-4-carboxylic acid
CAS Number:
889942-85-2
Molecular Formula:
C10H6N2O2
Molecular Weight:
186.1668
MDL Number:
MFCD07776626
IUPAC Name:
3-cyano-1H-indole-4-carboxylic acid
InChI:
InChI=1S/C10H6N2O2/c11-4-6-5-12-8-3-1-2-7(9(6)8)10(13)14/h1-3,5,12H,(H,13,14)
InChI Key:
PWVNJBVXUPJABL-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1c(ccc2)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:
1.3  
Properties