2-carboxybenzoate;rubidium(1+)

C8H5O4Rb — CID 23665340

IUPAC2-carboxybenzoate;rubidium(1+)
SMILESO=C([O-])c1ccccc1C(=O)O.[Rb+]
InChIInChI=1S/C8H6O4.Rb/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyXESNEJYDNWIZHN-UHFFFAOYSA-M
MW250.59 g/mol
LogP-3.25
Rot. Bonds2

About 2-carboxybenzoate;rubidium(1+)

2-carboxybenzoate;rubidium(1+) (PubChem CID 23665340) has the molecular formula C8H5O4Rb and a molecular weight of 250.59 g/mol. Its IUPAC name is 2-carboxybenzoate;rubidium(1+).

Molecular Properties

Compound Name2-carboxybenzoate;rubidium(1+)
PubChem CID23665340
Molecular FormulaC8H5O4Rb
Molecular Weight250.59 g/mol
Exact Mass249.93
IUPAC Name2-carboxybenzoate;rubidium(1+)
SMILESO=C([O-])c1ccccc1C(=O)O.[Rb+]
InChIInChI=1S/C8H6O4.Rb/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyXESNEJYDNWIZHN-UHFFFAOYSA-M
XLogP-3.25
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.59
LogP ≤ 5-3.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-carboxybenzoate;thallium(1+)
CID 101403196
lithium 2-carboxybenzoate
CID 67386197
potassium;2-carboxybenzoate;hydrofluoride
CID 174556372
potassium;azane;2-carboxybenzoate
CID 174947787
disilver;phthalate
CID 21449237
pentakis(lead(2+));phthalate
CID 173427098
hydride;phthalic acid;rubidium(1+)
CID 173256629
trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393
disodium;hydron;phthalate
CID 23089010
bis(lead(2+));phthalate;dihydroxide
CID 102446618

Frequently Asked Questions

What is the IUPAC name of 2-carboxybenzoate;rubidium(1+)?
The IUPAC name of 2-carboxybenzoate;rubidium(1+) (CID 23665340) is 2-carboxybenzoate;rubidium(1+).
What is the SMILES notation for 2-carboxybenzoate;rubidium(1+)?
The canonical SMILES for 2-carboxybenzoate;rubidium(1+) is O=C([O-])c1ccccc1C(=O)O.[Rb+].
What is the InChIKey of 2-carboxybenzoate;rubidium(1+)?
The InChIKey is XESNEJYDNWIZHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O4.Rb/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1.
What are the key properties of 2-carboxybenzoate;rubidium(1+)?
2-carboxybenzoate;rubidium(1+) has a molecular weight of 250.59 g/mol, XLogP of -3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxybenzoate;rubidium(1+) is sourced from PubChem (CID 23665340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).