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Home > Indoles and Oxindole > 89368-51-4
89368-51-4 | 1H-Indole-3-acetonitrile, 4-ethenyl-
CAS No: 89368-51-4 Catalog No: AG003XKU MDL No:
Product Description
Catalog Number:
AG003XKU
Chemical Name:
1H-Indole-3-acetonitrile, 4-ethenyl-
CAS Number:
89368-51-4
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
IUPAC Name:
2-(4-ethenyl-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C12H10N2/c1-2-9-4-3-5-11-12(9)10(6-7-13)8-14-11/h2-5,8,14H,1,6H2
InChI Key:
HFKMUMFUCWHYPO-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1c(C=C)ccc2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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