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70173-24-9 | 2-Ethyl-9-hydroxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazolium acetate
CAS No: 70173-24-9 Catalog No: AG005KRT MDL No:
Product Description
Catalog Number:
AG005KRT
Chemical Name:
2-Ethyl-9-hydroxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazolium acetate
CAS Number:
70173-24-9
Molecular Formula:
C21H22N2O3
Molecular Weight:
350.4110
IUPAC Name:
2-ethyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol;acetate
InChI:
InChI=1S/C19H18N2O.C2H4O2/c1-4-21-8-7-14-12(3)19-18(11(2)16(14)10-21)15-9-13(22)5-6-17(15)20-19;1-2(3)4/h5-10,22H,4H2,1-3H3;1H3,(H,3,4)
InChI Key:
WKGUXODNZRETGT-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C.CC[n+]1ccc2c(c1)c(C)c1c(c2C)[nH]c2c1cc(O)cc2
EC Number:
274-360-4
NSC Number:
311150
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.163g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.418g/mol
Monoisotopic Mass:
350.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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