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Home > Indoles and Oxindole > 90679-08-6
90679-08-6 | 1H-Indole, 2,3-dihydro-5-(4-pyridinyl)-
CAS No: 90679-08-6 Catalog No: AG006NB6 MDL No:
Product Description
Catalog Number:
AG006NB6
Chemical Name:
1H-Indole, 2,3-dihydro-5-(4-pyridinyl)-
CAS Number:
90679-08-6
Molecular Formula:
C13H12N2
Molecular Weight:
196.2478
IUPAC Name:
5-pyridin-4-yl-2,3-dihydro-1H-indole
InChI:
InChI=1S/C13H12N2/c1-2-13-12(5-8-15-13)9-11(1)10-3-6-14-7-4-10/h1-4,6-7,9,15H,5,8H2
InChI Key:
DAQYEMLWVIQCRV-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1ccc2c(c1)CCN2
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.253g/mol
Monoisotopic Mass:
196.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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