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92462-28-7 | 1H-Pyrido[4,3-b]indol-1-one, 2,5-dihydro-3-hydroxy-5-methyl-2-phenyl-
CAS No: 92462-28-7 Catalog No: AG0065IB MDL No:
Product Description
Catalog Number:
AG0065IB
Chemical Name:
1H-Pyrido[4,3-b]indol-1-one, 2,5-dihydro-3-hydroxy-5-methyl-2-phenyl-
CAS Number:
92462-28-7
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
IUPAC Name:
1-hydroxy-5-methyl-2-phenylpyrido[4,3-b]indol-3-one
InChI:
InChI=1S/C18H14N2O2/c1-19-14-10-6-5-9-13(14)17-15(19)11-16(21)20(18(17)22)12-7-3-2-4-8-12/h2-11,22H,1H3
InChI Key:
KBXWNMVERCMDCO-UHFFFAOYSA-N
SMILES:
Oc1cc2n(C)c3c(c2c(=O)n1c1ccccc1)cccc3
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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