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84100-09-4 | Bis(2-(((p-methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium) carbonate
CAS No: 84100-09-4 Catalog No: AG004PVZ MDL No:
Product Description
Catalog Number:
AG004PVZ
Chemical Name:
Bis(2-(((p-methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium) carbonate
CAS Number:
84100-09-4
Molecular Formula:
C41H48N6O5
Molecular Weight:
704.8570
IUPAC Name:
1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine;carbonate
InChI:
InChI=1S/2C20H23N3O.CH2O3/c2*1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;2-1(3)4/h2*5-12,14H,13H2,1-4H3;(H2,2,3,4)
InChI Key:
FZJDCXGDAFKMJY-UHFFFAOYSA-N
SMILES:
[O-]C(=O)[O-].COc1ccc(cc1)CNN=CC1=[N+](C)c2c(C1(C)C)cccc2.COc1ccc(cc1)CNN=CC1=[N+](C)c2c(C1(C)C)cccc2
EC Number:
282-090-3
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
704.369g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
704.872g/mol
Monoisotopic Mass:
704.369g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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