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Home > Nitro Compounds > 10172-69-7
10172-69-7 | 2H-1-Benzopyran-2-one, 3,3'-[(2-nitrophenyl)methylene]bis[4-hydroxy-
CAS No: 10172-69-7 Catalog No: AG0005BA MDL No:
Product Description
Catalog Number:
AG0005BA
Chemical Name:
2H-1-Benzopyran-2-one, 3,3'-[(2-nitrophenyl)methylene]bis[4-hydroxy-
CAS Number:
10172-69-7
Molecular Formula:
C25H15NO8
Molecular Weight:
457.3885
IUPAC Name:
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(2-nitrophenyl)methyl]chromen-2-one
InChI:
InChI=1S/C25H15NO8/c27-22-14-8-2-5-11-17(14)33-24(29)20(22)19(13-7-1-4-10-16(13)26(31)32)21-23(28)15-9-3-6-12-18(15)34-25(21)30/h1-12,19,27-28H
InChI Key:
TUHSRMSCBAFLPJ-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c(c1C(c1ccccc1[N+](=O)[O-])c1c(=O)oc2c(c1O)cccc2)O
Properties
Complexity:
876
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.08g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
457.394g/mol
Monoisotopic Mass:
457.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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