200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 130912-21-9
130912-21-9 | Pentanedioic acid, 1,5-bis(3-nitrophenyl) ester
CAS No: 130912-21-9 Catalog No: AG000V3D MDL No:
Product Description
Catalog Number:
AG000V3D
Chemical Name:
Pentanedioic acid, 1,5-bis(3-nitrophenyl) ester
CAS Number:
130912-21-9
Molecular Formula:
C17H14N2O8
Molecular Weight:
374.3017
IUPAC Name:
bis(3-nitrophenyl) pentanedioate
InChI:
InChI=1S/C17H14N2O8/c20-16(26-14-6-1-4-12(10-14)18(22)23)8-3-9-17(21)27-15-7-2-5-13(11-15)19(24)25/h1-2,4-7,10-11H,3,8-9H2
InChI Key:
MHJFESMNSZYPLI-UHFFFAOYSA-N
SMILES:
O=C(Oc1cccc(c1)[N+](=O)[O-])CCCC(=O)Oc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.075g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.305g/mol
Monoisotopic Mass:
374.075g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.