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2097136-42-8 | 1,2,3,3aS-tetrahydro-3a-hydroxy-1-(3-hydroxyphenyl)-6-methyl-4H-pyrrolo[2,3-b]quinolin-4-one
CAS No: 2097136-42-8 Catalog No: AG01EQ9J MDL No:
Product Description
Catalog Number:
AG01EQ9J
Chemical Name:
1,2,3,3aS-tetrahydro-3a-hydroxy-1-(3-hydroxyphenyl)-6-methyl-4H-pyrrolo[2,3-b]quinolin-4-one
CAS Number:
2097136-42-8
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
IUPAC Name:
(3aS)-3a-hydroxy-1-(3-hydroxyphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
InChI:
InChI=1S/C18H16N2O3/c1-11-5-6-15-14(9-11)16(22)18(23)7-8-20(17(18)19-15)12-3-2-4-13(21)10-12/h2-6,9-10,21,23H,7-8H2,1H3/t18-/m1/s1
InChI Key:
OJXUBBKNTWQDFQ-GOSISDBHSA-N
SMILES:
Cc1ccc2c(c1)C(=O)[C@]1(C(=N2)N(CC1)c1cccc(c1)O)O
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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