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Home > Nitro Compounds > 139896-75-6
139896-75-6 | Hexanedioic acid, 1,6-bis(4-hydroxy-2,6-dinitrophenyl) ester
CAS No: 139896-75-6 Catalog No: AG001BS2 MDL No:
Product Description
Catalog Number:
AG001BS2
Chemical Name:
Hexanedioic acid, 1,6-bis(4-hydroxy-2,6-dinitrophenyl) ester
CAS Number:
139896-75-6
Molecular Formula:
C18H14N4O14
Molecular Weight:
510.3222
IUPAC Name:
bis(4-hydroxy-2,6-dinitrophenyl) hexanedioate
InChI:
InChI=1S/C18H14N4O14/c23-9-5-11(19(27)28)17(12(6-9)20(29)30)35-15(25)3-1-2-4-16(26)36-18-13(21(31)32)7-10(24)8-14(18)22(33)34/h5-8,23-24H,1-4H2
InChI Key:
WAWGKCAHHNCLHJ-UHFFFAOYSA-N
SMILES:
O=C(Oc1c(cc(cc1[N+](=O)[O-])O)[N+](=O)[O-])CCCCC(=O)Oc1c(cc(cc1[N+](=O)[O-])O)[N+](=O)[O-]
Properties
Complexity:
744
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.051g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
510.324g/mol
Monoisotopic Mass:
510.051g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
276A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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