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Home > Indoles and Oxindole > 69111-89-3
69111-89-3 | 1H-Indole-3-carbonitrile, 1-(acetyloxy)-
CAS No: 69111-89-3 Catalog No: AG006CT2 MDL No:
Product Description
Catalog Number:
AG006CT2
Chemical Name:
1H-Indole-3-carbonitrile, 1-(acetyloxy)-
CAS Number:
69111-89-3
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
IUPAC Name:
(3-cyanoindol-1-yl) acetate
InChI:
InChI=1S/C11H8N2O2/c1-8(14)15-13-7-9(6-12)10-4-2-3-5-11(10)13/h2-5,7H,1H3
InChI Key:
YQVBPQKNEHCVQR-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2c1cccc2)OC(=O)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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