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Home > Indoles and Oxindole > 127626-07-7
127626-07-7 | 1H-Indol-5-ol, 3-(1,2,3,6-tetrahydro-4-pyridinyl)-
CAS No: 127626-07-7 Catalog No: AG000X88 MDL No:
Product Description
Catalog Number:
AG000X88
Chemical Name:
1H-Indol-5-ol, 3-(1,2,3,6-tetrahydro-4-pyridinyl)-
CAS Number:
127626-07-7
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol
InChI:
InChI=1S/C13H14N2O/c16-10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-16H,4-6H2
InChI Key:
YMCFWPXQTPNUBN-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(c[nH]2)C1=CCNCC1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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