anthracene-2,6-dicarboxylate

C16H8O4-2 — CID 86309851

IUPACanthracene-2,6-dicarboxylate
SMILESO=C([O-])c1ccc2cc3cc(C(=O)[O-])ccc3cc2c1
InChIInChI=1S/C16H10O4/c17-15(18)11-3-1-9-5-14-8-12(16(19)20)4-2-10(14)6-13(9)7-11/h1-8H,(H,17,18)(H,19,20)/p-2
InChIKeyXAAYMWLCUICVSL-UHFFFAOYSA-L
MW264.24 g/mol
LogP0.72
Rot. Bonds2

About anthracene-2,6-dicarboxylate

anthracene-2,6-dicarboxylate (PubChem CID 86309851) has the molecular formula C16H8O4-2 and a molecular weight of 264.24 g/mol. Its IUPAC name is anthracene-2,6-dicarboxylate.

Molecular Properties

Compound Nameanthracene-2,6-dicarboxylate
PubChem CID86309851
Molecular FormulaC16H8O4-2
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC Nameanthracene-2,6-dicarboxylate
SMILESO=C([O-])c1ccc2cc3cc(C(=O)[O-])ccc3cc2c1
InChIInChI=1S/C16H10O4/c17-15(18)11-3-1-9-5-14-8-12(16(19)20)4-2-10(14)6-13(9)7-11/h1-8H,(H,17,18)(H,19,20)/p-2
InChIKeyXAAYMWLCUICVSL-UHFFFAOYSA-L
XLogP0.72
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anthracene-2-carboxylate
CID 11160355
tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))
CID 175019109
magnesium naphthalene-2,6-dicarboxylate
CID 67200509
potassium naphthalene-2-carboxylate
CID 23664129
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)
CID 172907782
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
di(propan-2-yl)azanium;naphthalene-2-carboxylate
CID 21407073

Frequently Asked Questions

What is the IUPAC name of anthracene-2,6-dicarboxylate?
The IUPAC name of anthracene-2,6-dicarboxylate (CID 86309851) is anthracene-2,6-dicarboxylate.
What is the SMILES notation for anthracene-2,6-dicarboxylate?
The canonical SMILES for anthracene-2,6-dicarboxylate is O=C([O-])c1ccc2cc3cc(C(=O)[O-])ccc3cc2c1.
What is the InChIKey of anthracene-2,6-dicarboxylate?
The InChIKey is XAAYMWLCUICVSL-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H10O4/c17-15(18)11-3-1-9-5-14-8-12(16(19)20)4-2-10(14)6-13(9)7-11/h1-8H,(H,17,18)(H,19,20)/p-2.
What are the key properties of anthracene-2,6-dicarboxylate?
anthracene-2,6-dicarboxylate has a molecular weight of 264.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-2,6-dicarboxylate is sourced from PubChem (CID 86309851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).