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49759-35-5 | Bis-(4-nitrophenyl)suberate
CAS No: 49759-35-5 Catalog No: AG00JNQJ MDL No:
Product Description
Catalog Number:
AG00JNQJ
Chemical Name:
Bis-(4-nitrophenyl)suberate
CAS Number:
49759-35-5
IUPAC Name:
bis(4-nitrophenyl) octanedioate
InChI:
InChI=1S/C20H20N2O8/c23-19(29-17-11-7-15(8-12-17)21(25)26)5-3-1-2-4-6-20(24)30-18-13-9-16(10-14-18)22(27)28/h7-14H,1-6H2
InChI Key:
QPRJCXJSVYJEEB-UHFFFAOYSA-N
NSC Number:
84146
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.122g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.386g/mol
Monoisotopic Mass:
416.122g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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