Name: Name:4-(2,5-dioxopyrrolidin-1-yl)-3-nitrobenzoic acid
Brand: Angene
SKU: AG01BEPD
Rating: 90 (10 reviews)

4-(2,5-dioxopyrrolidin-1-yl)-3-nitrobenzoic acid

CAS No.:

1178118-95-0

Catalog Number:

AG01BEPD

Molecular Formula:

C11H8N2O6

Molecular Weight:

264.1910

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

Complexity:

427

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.193g/mol

Monoisotopic Mass:

264.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

121A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1