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Home > Nitro Compounds > 130912-20-8
130912-20-8 | Butanedioic acid, 1,4-bis(3-nitrophenyl) ester
CAS No: 130912-20-8 Catalog No: AG000V3E MDL No:
Product Description
Catalog Number:
AG000V3E
Chemical Name:
Butanedioic acid, 1,4-bis(3-nitrophenyl) ester
CAS Number:
130912-20-8
Molecular Formula:
C16H12N2O8
Molecular Weight:
360.2751
IUPAC Name:
bis(3-nitrophenyl) butanedioate
InChI:
InChI=1S/C16H12N2O8/c19-15(25-13-5-1-3-11(9-13)17(21)22)7-8-16(20)26-14-6-2-4-12(10-14)18(23)24/h1-6,9-10H,7-8H2
InChI Key:
YCPJEZCBIWVPEB-UHFFFAOYSA-N
SMILES:
O=C(Oc1cccc(c1)[N+](=O)[O-])CCC(=O)Oc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.059g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.278g/mol
Monoisotopic Mass:
360.059g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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