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Home > Nitro Compounds > 1178118-95-0
1178118-95-0 | 4-(2,5-dioxopyrrolidin-1-yl)-3-nitrobenzoic acid
CAS No: 1178118-95-0 Catalog No: AG01BEPD MDL No:MFCD12567651
Product Description
Catalog Number:
AG01BEPD
Chemical Name:
4-(2,5-dioxopyrrolidin-1-yl)-3-nitrobenzoic acid
CAS Number:
1178118-95-0
Molecular Formula:
C11H8N2O6
Molecular Weight:
264.1910
MDL Number:
MFCD12567651
IUPAC Name:
4-(2,5-dioxopyrrolidin-1-yl)-3-nitrobenzoic acid
InChI:
InChI=1S/C11H8N2O6/c14-9-3-4-10(15)12(9)7-2-1-6(11(16)17)5-8(7)13(18)19/h1-2,5H,3-4H2,(H,16,17)
InChI Key:
LJVDQTJIIKNHEW-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.193g/mol
Monoisotopic Mass:
264.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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