1,4-dioxidonaphthalene-2-carboxylate

C11H5O4-3 — CID 3698499

IUPAC1,4-dioxidonaphthalene-2-carboxylate
SMILESO=C([O-])c1cc([O-])c2ccccc2c1[O-]
InChIInChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)/p-3
InChIKeyVOJUXHHACRXLTD-UHFFFAOYSA-K
MW201.16 g/mol
LogP-0.65
Rot. Bonds1

About 1,4-dioxidonaphthalene-2-carboxylate

1,4-dioxidonaphthalene-2-carboxylate (PubChem CID 3698499) has the molecular formula C11H5O4-3 and a molecular weight of 201.16 g/mol. Its IUPAC name is 1,4-dioxidonaphthalene-2-carboxylate.

Molecular Properties

Compound Name1,4-dioxidonaphthalene-2-carboxylate
PubChem CID3698499
Molecular FormulaC11H5O4-3
Molecular Weight201.16 g/mol
Exact Mass201.02
IUPAC Name1,4-dioxidonaphthalene-2-carboxylate
SMILESO=C([O-])c1cc([O-])c2ccccc2c1[O-]
InChIInChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)/p-3
InChIKeyVOJUXHHACRXLTD-UHFFFAOYSA-K
XLogP-0.65
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dipotassium;naphthalene-1,4-dicarboxylate
CID 101297429
4,6-dioxidobenzene-1,3-dicarboxylate
CID 140752440
aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate
CID 54682510
dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)
CID 178181364
nickel(2+);phthalate
CID 15798393
disilver;phthalate
CID 21449237
pentakis(lead(2+));phthalate
CID 173427098
trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254
azulene-1,3-dicarboxylate
CID 140764257
bis(lead(2+));phthalate;dihydroxide
CID 102446618
disodium;hydron;phthalate
CID 23089010

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxidonaphthalene-2-carboxylate?
The IUPAC name of 1,4-dioxidonaphthalene-2-carboxylate (CID 3698499) is 1,4-dioxidonaphthalene-2-carboxylate.
What is the SMILES notation for 1,4-dioxidonaphthalene-2-carboxylate?
The canonical SMILES for 1,4-dioxidonaphthalene-2-carboxylate is O=C([O-])c1cc([O-])c2ccccc2c1[O-].
What is the InChIKey of 1,4-dioxidonaphthalene-2-carboxylate?
The InChIKey is VOJUXHHACRXLTD-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)/p-3.
What are the key properties of 1,4-dioxidonaphthalene-2-carboxylate?
1,4-dioxidonaphthalene-2-carboxylate has a molecular weight of 201.16 g/mol, XLogP of -0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxidonaphthalene-2-carboxylate is sourced from PubChem (CID 3698499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).