4,6-dioxidobenzene-1,3-dicarboxylate

C8H2O6-4 — CID 140752440

IUPAC4,6-dioxidobenzene-1,3-dicarboxylate
SMILESO=C([O-])c1cc(C(=O)[O-])c([O-])cc1[O-]
InChIInChI=1S/C8H6O6/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,9-10H,(H,11,12)(H,13,14)/p-4
InChIKeyMZGVIIXFGJCRDR-UHFFFAOYSA-J
MW194.10 g/mol
LogP-3.44
Rot. Bonds2

About 4,6-dioxidobenzene-1,3-dicarboxylate

4,6-dioxidobenzene-1,3-dicarboxylate (PubChem CID 140752440) has the molecular formula C8H2O6-4 and a molecular weight of 194.10 g/mol. Its IUPAC name is 4,6-dioxidobenzene-1,3-dicarboxylate.

Molecular Properties

Compound Name4,6-dioxidobenzene-1,3-dicarboxylate
PubChem CID140752440
Molecular FormulaC8H2O6-4
Molecular Weight194.10 g/mol
Exact Mass193.99
IUPAC Name4,6-dioxidobenzene-1,3-dicarboxylate
SMILESO=C([O-])c1cc(C(=O)[O-])c([O-])cc1[O-]
InChIInChI=1S/C8H6O6/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,9-10H,(H,11,12)(H,13,14)/p-4
InChIKeyMZGVIIXFGJCRDR-UHFFFAOYSA-J
XLogP-3.44
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 5-3.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate
CID 101322218
tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate
CID 139073121
5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate
CID 160703833
sodium 2,4,5-tricarboxybenzoate
CID 100958061
1,4-dioxidonaphthalene-2-carboxylate
CID 3698499
bis(4,5-dicarboxyphthalate);zinc;tetrahydroxide
CID 5246120
azulene-1,3-dicarboxylate
CID 140764257
trimagnesium;phthalate
CID 142758668
disilver;phthalate
CID 21449237
pentakis(lead(2+));phthalate
CID 173427098
nickel(2+);phthalate
CID 15798393
lead(2+) dihydride;phthalate
CID 155293254

Frequently Asked Questions

What is the IUPAC name of 4,6-dioxidobenzene-1,3-dicarboxylate?
The IUPAC name of 4,6-dioxidobenzene-1,3-dicarboxylate (CID 140752440) is 4,6-dioxidobenzene-1,3-dicarboxylate.
What is the SMILES notation for 4,6-dioxidobenzene-1,3-dicarboxylate?
The canonical SMILES for 4,6-dioxidobenzene-1,3-dicarboxylate is O=C([O-])c1cc(C(=O)[O-])c([O-])cc1[O-].
What is the InChIKey of 4,6-dioxidobenzene-1,3-dicarboxylate?
The InChIKey is MZGVIIXFGJCRDR-UHFFFAOYSA-J. The full InChI is InChI=1S/C8H6O6/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,9-10H,(H,11,12)(H,13,14)/p-4.
What are the key properties of 4,6-dioxidobenzene-1,3-dicarboxylate?
4,6-dioxidobenzene-1,3-dicarboxylate has a molecular weight of 194.10 g/mol, XLogP of -3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dioxidobenzene-1,3-dicarboxylate is sourced from PubChem (CID 140752440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).