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Home > Indoles and Oxindole > 83783-33-9
83783-33-9 | 3-Formyl-1H-indole-6-carbonitrile
CAS No: 83783-33-9 Catalog No: AG0036EI MDL No:MFCD06657155
Product Description
Catalog Number:
AG0036EI
Chemical Name:
3-Formyl-1H-indole-6-carbonitrile
CAS Number:
83783-33-9
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD06657155
IUPAC Name:
3-formyl-1H-indole-6-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-4-7-1-2-9-8(6-13)5-12-10(9)3-7/h1-3,5-6,12H
InChI Key:
KCNWLZZKKCXGOC-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1ccc(c2)C#N
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:
1.4
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