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49761-23-1 | Bis-(4-nitrophenyl)pimelate
CAS No: 49761-23-1 Catalog No: AG00JNQI MDL No:
Product Description
Catalog Number:
AG00JNQI
Chemical Name:
Bis-(4-nitrophenyl)pimelate
CAS Number:
49761-23-1
IUPAC Name:
bis(4-nitrophenyl) heptanedioate
InChI:
InChI=1S/C19H18N2O8/c22-18(28-16-10-6-14(7-11-16)20(24)25)4-2-1-3-5-19(23)29-17-12-8-15(9-13-17)21(26)27/h6-13H,1-5H2
InChI Key:
LQKWUJHXPDWNNA-UHFFFAOYSA-N
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.106g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.359g/mol
Monoisotopic Mass:
402.106g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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