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Home > Indoles and Oxindole > 1349717-48-1
1349717-48-1 | 3-(5-Cyano-1H-indol-1-yl)benzyl alcohol
CAS No: 1349717-48-1 Catalog No: AG01FCBX MDL No:
Product Description
Catalog Number:
AG01FCBX
Chemical Name:
3-(5-Cyano-1H-indol-1-yl)benzyl alcohol
CAS Number:
1349717-48-1
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
1-[3-(hydroxymethyl)phenyl]indole-5-carbonitrile
InChI:
InChI=1S/C16H12N2O/c17-10-12-4-5-16-14(8-12)6-7-18(16)15-3-1-2-13(9-15)11-19/h1-9,19H,11H2
InChI Key:
BMGAMYJYBLRLAM-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)n1ccc2c1ccc(c2)C#N
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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