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Home > Indoles and Oxindole > 918960-17-5
918960-17-5 | Benzonitrile, 4-(7-hydroxy-2-indolizinyl)-
CAS No: 918960-17-5 Catalog No: AG006LL6 MDL No:
Product Description
Catalog Number:
AG006LL6
Chemical Name:
Benzonitrile, 4-(7-hydroxy-2-indolizinyl)-
CAS Number:
918960-17-5
Molecular Formula:
C15H10N2O
Molecular Weight:
234.2527
IUPAC Name:
4-(7-hydroxyindolizin-2-yl)benzonitrile
InChI:
InChI=1S/C15H10N2O/c16-9-11-1-3-12(4-2-11)13-7-14-8-15(18)5-6-17(14)10-13/h1-8,10,18H
InChI Key:
XWONROYKGYYSDZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cc2n(c1)ccc(c2)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.258g/mol
Monoisotopic Mass:
234.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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