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866322-84-1 | 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-phenoxy-
CAS No: 866322-84-1 Catalog No: AG004TYD MDL No:
Product Description
Catalog Number:
AG004TYD
Chemical Name:
1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-phenoxy-
CAS Number:
866322-84-1
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
IUPAC Name:
8-phenoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
InChI:
InChI=1S/C17H16N2O/c1-2-4-12(5-3-1)20-13-6-7-16-14(10-13)15-11-18-9-8-17(15)19-16/h1-7,10,18-19H,8-9,11H2
InChI Key:
NBQLTEFESAVRMX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1ccc2c(c1)c1CNCCc1[nH]2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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