Home Nitriles 3-Formyl-1H-indole-4-carbonitrile

3-Formyl-1H-indole-4-carbonitrile

CAS No.:
53269-35-5
Catalog Number:
AG0039H4
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
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Product Description
Catalog Number:
AG0039H4
Chemical Name:
3-Formyl-1H-indole-4-carbonitrile
CAS Number:
53269-35-5
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD06657154
IUPAC Name:
3-formyl-1H-indole-4-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-4-7-2-1-3-9-10(7)8(6-13)5-12-9/h1-3,5-6,12H
InChI Key:
UEKTZTWPXLKXBB-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(C#N)ccc2
Properties
Complexity:
255  
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:
1.2  
Properties