dicalcium bis(2-carboxyphenolate)

C14H10Ca2O6+2 — CID 158572383

IUPACdicalcium bis(2-carboxyphenolate)
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Ca+2].[Ca+2]
InChIInChI=1S/2C7H6O3.2Ca/c2*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-4,8H,(H,9,10);;/q;;2*+2/p-2
InChIKeyHSFYVVCKXUQNBU-UHFFFAOYSA-L
MW354.38 g/mol
LogP0.16
Rot. Bonds2

About dicalcium bis(2-carboxyphenolate)

dicalcium bis(2-carboxyphenolate) (PubChem CID 158572383) has the molecular formula C14H10Ca2O6+2 and a molecular weight of 354.38 g/mol. Its IUPAC name is dicalcium bis(2-carboxyphenolate).

Molecular Properties

Compound Namedicalcium bis(2-carboxyphenolate)
PubChem CID158572383
Molecular FormulaC14H10Ca2O6+2
Molecular Weight354.38 g/mol
Exact Mass353.97
IUPAC Namedicalcium bis(2-carboxyphenolate)
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Ca+2].[Ca+2]
InChIInChI=1S/2C7H6O3.2Ca/c2*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-4,8H,(H,9,10);;/q;;2*+2/p-2
InChIKeyHSFYVVCKXUQNBU-UHFFFAOYSA-L
XLogP0.16
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

copper bis(2-carboxyphenolate)
CID 54683201
2-carboxyphenolate;gold(1+)
CID 54682314
potassium 2-carboxyphenolate
CID 23689489
dimagnesium;tetrakis(2-carboxyphenolate)
CID 158207180
magnesium tris(2-carboxyphenolate)
CID 54714197
dilithium bis(2-carboxyphenolate)
CID 54690284
triazanium;tris(2-carboxyphenolate)
CID 172802459
magnesium bis(2-carboxyphenolate)
CID 54684589
2-carboxyphenolate carbonate
CID 54676053
magnesium;bis(2-carboxyphenolate);trihydrate
CID 172729284
diazanium;bis(2-carboxyphenolate);oxovanadium
CID 173457908
2-carboxyphenolate;ethane;methane
CID 158005371

Frequently Asked Questions

What is the IUPAC name of dicalcium bis(2-carboxyphenolate)?
The IUPAC name of dicalcium bis(2-carboxyphenolate) (CID 158572383) is dicalcium bis(2-carboxyphenolate).
What is the SMILES notation for dicalcium bis(2-carboxyphenolate)?
The canonical SMILES for dicalcium bis(2-carboxyphenolate) is O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Ca+2].[Ca+2].
What is the InChIKey of dicalcium bis(2-carboxyphenolate)?
The InChIKey is HSFYVVCKXUQNBU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O3.2Ca/c2*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-4,8H,(H,9,10);;/q;;2*+2/p-2.
What are the key properties of dicalcium bis(2-carboxyphenolate)?
dicalcium bis(2-carboxyphenolate) has a molecular weight of 354.38 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium bis(2-carboxyphenolate) is sourced from PubChem (CID 158572383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).