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Home > Indoles and Oxindole > 77801-79-7
77801-79-7 | 1H-Indole, 4-(1,2,5,6-tetrahydro-3-pyridinyl)-
CAS No: 77801-79-7 Catalog No: AG005F2F MDL No:
Product Description
Catalog Number:
AG005F2F
Chemical Name:
1H-Indole, 4-(1,2,5,6-tetrahydro-3-pyridinyl)-
CAS Number:
77801-79-7
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
IUPAC Name:
4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
InChI:
InChI=1S/C13H14N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,3-6,8,14-15H,2,7,9H2
InChI Key:
PJADMEDZWVVNBV-UHFFFAOYSA-N
SMILES:
C1CC=C(CN1)c1cccc2c1cc[nH]2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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