2-nitrobenzene-1,3,5-tricarboxylic Acid

HCID 3259042
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Basic information

Standard SMILES
O=C(O)c1cc(C(=O)O)c([N+](=O)[O-])c(C(=O)O)c1
InChIKey
BOUYXKZEBJHJBT-UHFFFAOYSA-N
Molecular formula
C9H5NO8
Average molar mass
255.14 g/mol

Names & identifiers

Preferred name
2-nitrobenzene-1,3,5-tricarboxylic Acid
IUPAC
2-nitrobenzene-1,3,5-tricarboxylic acid

Names & synonyms

2-nitrobenzene-1,3,5-tricarboxylic Acid19625-68-4nitrotrimesic acidSCHEMBL11316296BOUYXKZEBJHJBT-UHFFFAOYSA-NAKOS0243563542-nitro-1,3,5-benzenetricarboxylic acidST50984117

Database identifiers

PubChem CID
3259042
Nikkaji
J3.355.873B

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
158 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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