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Home > Indoles and Oxindole > 17380-18-6
17380-18-6 | 1H-Indole-5-carbonitrile, 3-formyl-
CAS No: 17380-18-6 Catalog No: AG001Z6S MDL No:MFCD01719101
Product Description
Catalog Number:
AG001Z6S
Chemical Name:
1H-Indole-5-carbonitrile, 3-formyl-
CAS Number:
17380-18-6
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD01719101
IUPAC Name:
3-formyl-1H-indole-5-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-4-7-1-2-10-9(3-7)8(6-13)5-12-10/h1-3,5-6,12H
InChI Key:
NVBCFOQYDFKXJJ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(C#N)cc2
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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