Home Carbonyls 1H-indole-3-carbonyl cyanide

1H-indole-3-carbonyl cyanide

CAS No.:
19194-62-8
Catalog Number:
AG00ARXV
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00ARXV
Chemical Name:
1H-indole-3-carbonyl cyanide
CAS Number:
19194-62-8
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD13183870
IUPAC Name:
1H-indole-3-carbonyl cyanide
InChI:
InChI=1S/C10H6N2O/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H
InChI Key:
YWKCWNQLRJKTBZ-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties