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Home > Indoles and Oxindole > 90281-24-6
90281-24-6 | 3H-Indolium, 2-[2-(2-hydroxy-5-nitrophenyl)ethenyl]-1,3,3-trimethyl-
CAS No: 90281-24-6 Catalog No: AG006GSI MDL No:
Product Description
Catalog Number:
AG006GSI
Chemical Name:
3H-Indolium, 2-[2-(2-hydroxy-5-nitrophenyl)ethenyl]-1,3,3-trimethyl-
CAS Number:
90281-24-6
Molecular Formula:
C19H19N2O3+
Molecular Weight:
323.3658
IUPAC Name:
4-nitro-2-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenol
InChI:
InChI=1S/C19H18N2O3/c1-19(2)15-6-4-5-7-16(15)20(3)18(19)11-8-13-12-14(21(23)24)9-10-17(13)22/h4-12H,1-3H3/p+1
InChI Key:
IENILPMDTHYRMT-UHFFFAOYSA-O
SMILES:
Oc1ccc(cc1C=CC1=[N+](C)c2c(C1(C)C)cccc2)[N+](=O)[O-]
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.14g/mol
Formal Charge:
1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.372g/mol
Monoisotopic Mass:
323.14g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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