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Home > Nitro Compounds > 1621326-32-6
1621326-32-6 | (3aS)-1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-(4-nitrophenyl)-4H-pyrrolo[2,3-b]quinolin-4-one
CAS No: 1621326-32-6 Catalog No: AG01EQ7O MDL No:
Product Description
Catalog Number:
AG01EQ7O
Chemical Name:
(3aS)-1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-(4-nitrophenyl)-4H-pyrrolo[2,3-b]quinolin-4-one
CAS Number:
1621326-32-6
Molecular Formula:
C18H15N3O4
Molecular Weight:
337.3294
IUPAC Name:
(3aS)-3a-hydroxy-6-methyl-1-(4-nitrophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
InChI:
InChI=1S/C18H15N3O4/c1-11-2-7-15-14(10-11)16(22)18(23)8-9-20(17(18)19-15)12-3-5-13(6-4-12)21(24)25/h2-7,10,23H,8-9H2,1H3/t18-/m1/s1
InChI Key:
KAUXNLHXGQGFOS-GOSISDBHSA-N
SMILES:
Cc1ccc2c(c1)C(=O)[C@]1(C(=N2)N(CC1)c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
337.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.335g/mol
Monoisotopic Mass:
337.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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