lithium 8-formylnaphthalene-1-carboxylate

C12H7LiO3 — CID 139201404

IUPAClithium 8-formylnaphthalene-1-carboxylate
SMILESO=Cc1cccc2cccc(C(=O)[O-])c12.[Li+]
InChIInChI=1S/C12H8O3.Li/c13-7-9-5-1-3-8-4-2-6-10(11(8)9)12(14)15;/h1-7H,(H,14,15);/q;+1/p-1
InChIKeyAMXQYXFACBRSRK-UHFFFAOYSA-M
MW206.13 g/mol
LogP-1.98
Rot. Bonds2

About lithium 8-formylnaphthalene-1-carboxylate

lithium 8-formylnaphthalene-1-carboxylate (PubChem CID 139201404) has the molecular formula C12H7LiO3 and a molecular weight of 206.13 g/mol. Its IUPAC name is lithium 8-formylnaphthalene-1-carboxylate.

Molecular Properties

Compound Namelithium 8-formylnaphthalene-1-carboxylate
PubChem CID139201404
Molecular FormulaC12H7LiO3
Molecular Weight206.13 g/mol
Exact Mass206.06
IUPAC Namelithium 8-formylnaphthalene-1-carboxylate
SMILESO=Cc1cccc2cccc(C(=O)[O-])c12.[Li+]
InChIInChI=1S/C12H8O3.Li/c13-7-9-5-1-3-8-4-2-6-10(11(8)9)12(14)15;/h1-7H,(H,14,15);/q;+1/p-1
InChIKeyAMXQYXFACBRSRK-UHFFFAOYSA-M
XLogP-1.98
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 5-1.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 8-formylnaphthalene-1-carboxylate?
The IUPAC name of lithium 8-formylnaphthalene-1-carboxylate (CID 139201404) is lithium 8-formylnaphthalene-1-carboxylate.
What is the SMILES notation for lithium 8-formylnaphthalene-1-carboxylate?
The canonical SMILES for lithium 8-formylnaphthalene-1-carboxylate is O=Cc1cccc2cccc(C(=O)[O-])c12.[Li+].
What is the InChIKey of lithium 8-formylnaphthalene-1-carboxylate?
The InChIKey is AMXQYXFACBRSRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8O3.Li/c13-7-9-5-1-3-8-4-2-6-10(11(8)9)12(14)15;/h1-7H,(H,14,15);/q;+1/p-1.
What are the key properties of lithium 8-formylnaphthalene-1-carboxylate?
lithium 8-formylnaphthalene-1-carboxylate has a molecular weight of 206.13 g/mol, XLogP of -1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 8-formylnaphthalene-1-carboxylate is sourced from PubChem (CID 139201404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).