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Home > Nitro Compounds > 87998-95-6
87998-95-6 | 1,7-Dioxadispiro[2.2.2.2]deca-4,9-diene, 2,8-bis(4-nitrophenyl)-
CAS No: 87998-95-6 Catalog No: AG004H5P MDL No:
Product Description
Catalog Number:
AG004H5P
Chemical Name:
1,7-Dioxadispiro[2.2.2.2]deca-4,9-diene, 2,8-bis(4-nitrophenyl)-
CAS Number:
87998-95-6
Molecular Formula:
C20H14N2O6
Molecular Weight:
378.3350
IUPAC Name:
1,7-bis(4-nitrophenyl)-2,8-dioxadispiro[2.2.26.23]deca-4,9-diene
InChI:
InChI=1S/C20H14N2O6/c23-21(24)15-5-1-13(2-6-15)17-19(27-17)9-11-20(12-10-19)18(28-20)14-3-7-16(8-4-14)22(25)26/h1-12,17-18H
InChI Key:
PUZKYVDPPZHYJY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1OC21C=CC1(C=C2)OC1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.085g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.34g/mol
Monoisotopic Mass:
378.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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