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83950-00-9 | 1,3,3-Trimethyl-2-((methyl(4-(phenylazo)phenyl)hydrazono)methyl)-3H-indolium 2-(lactoyloxy)propionate
CAS No: 83950-00-9 Catalog No: AG004R5J MDL No:
Product Description
Catalog Number:
AG004R5J
Chemical Name:
1,3,3-Trimethyl-2-((methyl(4-(phenylazo)phenyl)hydrazono)methyl)-3H-indolium 2-(lactoyloxy)propionate
CAS Number:
83950-00-9
Molecular Formula:
C31H35N5O5
Molecular Weight:
557.6401
IUPAC Name:
2-(2-hydroxypropanoyloxy)propanoate;N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline
InChI:
InChI=1S/C25H26N5.C6H10O5/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-3(7)6(10)11-4(2)5(8)9/h5-18H,1-4H3;3-4,7H,1-2H3,(H,8,9)/q+1;/p-1
InChI Key:
FSGAPIJFSYQFTH-UHFFFAOYSA-M
SMILES:
CN(c1ccc(cc1)N=Nc1ccccc1)N=CC1=[N+](C)c2c(C1(C)C)cccc2.[O-]C(=O)C(OC(=O)C(O)C)C
EC Number:
281-457-5
Properties
Complexity:
824
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
557.264g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
557.651g/mol
Monoisotopic Mass:
557.264g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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