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Home > Indoles and Oxindole > 89368-50-3
89368-50-3 | 1H-Indole-3-acetonitrile, 4-formyl-
CAS No: 89368-50-3 Catalog No: AG003YW1 MDL No:
Product Description
Catalog Number:
AG003YW1
Chemical Name:
1H-Indole-3-acetonitrile, 4-formyl-
CAS Number:
89368-50-3
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
2-(4-formyl-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C11H8N2O/c12-5-4-8-6-13-10-3-1-2-9(7-14)11(8)10/h1-3,6-7,13H,4H2
InChI Key:
FCUBJJRLECBYSS-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1c(C=O)ccc2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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