aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate

C11H9AlO5 — CID 101322218

IUPACaluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate
SMILESO.O=C([O-])c1cc2ccccc2cc1[O-].[Al+3].[OH-]
InChIInChI=1S/C11H8O3.Al.2H2O/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;;;/h1-6,12H,(H,13,14);;2*1H2/q;+3;;/p-3
InChIKeyDUPWMVUQVBOOIF-UHFFFAOYSA-K
MW248.17 g/mol
LogP-1.11
Rot. Bonds1

About aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate

aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate (PubChem CID 101322218) has the molecular formula C11H9AlO5 and a molecular weight of 248.17 g/mol. Its IUPAC name is aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate.

Molecular Properties

Compound Namealuminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate
PubChem CID101322218
Molecular FormulaC11H9AlO5
Molecular Weight248.17 g/mol
Exact Mass248.03
IUPAC Namealuminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate
SMILESO.O=C([O-])c1cc2ccccc2cc1[O-].[Al+3].[OH-]
InChIInChI=1S/C11H8O3.Al.2H2O/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;;;/h1-6,12H,(H,13,14);;2*1H2/q;+3;;/p-3
InChIKeyDUPWMVUQVBOOIF-UHFFFAOYSA-K
XLogP-1.11
TPSA124.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

calcium naphthalene-2,3-dicarboxylate
CID 101297436
zinc;bis(3-carboxynaphthalen-2-olate);dihydrate
CID 54706140
calcium;bis(3-carboxynaphthalen-2-olate);trihydrate
CID 54746328
4,6-dioxidobenzene-1,3-dicarboxylate
CID 140752440
nickel(2+);phthalate
CID 15798393
bis(lead(2+));phthalate;dihydroxide
CID 102446618
aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate
CID 54682510
tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate
CID 139073121
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
disodium bis(anthracene-1-carboxylate)
CID 155667370
(4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate
CID 54697775
disodium;bis(2-quinolin-2-ylquinoline-3-carboxylate);hydrate
CID 177254777

Frequently Asked Questions

What is the IUPAC name of aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate?
The IUPAC name of aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate (CID 101322218) is aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate.
What is the SMILES notation for aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate?
The canonical SMILES for aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate is O.O=C([O-])c1cc2ccccc2cc1[O-].[Al+3].[OH-].
What is the InChIKey of aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate?
The InChIKey is DUPWMVUQVBOOIF-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H8O3.Al.2H2O/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;;;/h1-6,12H,(H,13,14);;2*1H2/q;+3;;/p-3.
What are the key properties of aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate?
aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate has a molecular weight of 248.17 g/mol, XLogP of -1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate is sourced from PubChem (CID 101322218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).