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Home > Nitro Compounds > 143918-68-7
143918-68-7 | 3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(2-hydroxy-3,5-dinitrophenyl)-
CAS No: 143918-68-7 Catalog No: AG001ILL MDL No:
Product Description
Catalog Number:
AG001ILL
Chemical Name:
3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(2-hydroxy-3,5-dinitrophenyl)-
CAS Number:
143918-68-7
Molecular Formula:
C19H10N2O10
Molecular Weight:
426.2901
IUPAC Name:
2,6,7-trihydroxy-9-(2-hydroxy-3,5-dinitrophenyl)xanthen-3-one
InChI:
InChI=1S/C19H10N2O10/c22-12-3-8-16(5-14(12)24)31-17-6-15(25)13(23)4-9(17)18(8)10-1-7(20(27)28)2-11(19(10)26)21(29)30/h1-6,22-24,26H
InChI Key:
BNMFXPUIRARXLL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c2c3cc(O)c(=O)cc3oc3c2cc(O)c(c3)O)c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
914
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.034g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
426.293g/mol
Monoisotopic Mass:
426.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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