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98497-92-8 | 3-Pyridinemethanol, 5-hydroxy-6-methyl-4-(2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-
CAS No: 98497-92-8 Catalog No: AG006RWP MDL No:
Product Description
Catalog Number:
AG006RWP
Chemical Name:
3-Pyridinemethanol, 5-hydroxy-6-methyl-4-(2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-
CAS Number:
98497-92-8
Molecular Formula:
C18H19N3O2
Molecular Weight:
309.3624
IUPAC Name:
5-(hydroxymethyl)-2-methyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyridin-3-ol
InChI:
InChI=1S/C18H19N3O2/c1-10-18(23)15(11(9-22)8-20-10)17-16-13(6-7-19-17)12-4-2-3-5-14(12)21-16/h2-5,8,17,19,21-23H,6-7,9H2,1H3
InChI Key:
RMKMNSBAYXRACM-UHFFFAOYSA-N
SMILES:
OCc1cnc(c(c1C1NCCc2c1[nH]c1c2cccc1)O)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
309.369g/mol
Monoisotopic Mass:
309.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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