2-carboxyphenolate carbonate

C8H5O6-3 — CID 54676053

IUPAC2-carboxyphenolate carbonate
SMILESO=C(O)c1ccccc1[O-].O=C([O-])[O-]
InChIInChI=1S/C7H6O3.CH2O3/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4/h1-4,8H,(H,9,10);(H2,2,3,4)/p-3
InChIKeyOZZVTYISHDDTTJ-UHFFFAOYSA-K
MW197.12 g/mol
LogP-1.99
Rot. Bonds1

About 2-carboxyphenolate carbonate

2-carboxyphenolate carbonate (PubChem CID 54676053) has the molecular formula C8H5O6-3 and a molecular weight of 197.12 g/mol. Its IUPAC name is 2-carboxyphenolate carbonate.

Molecular Properties

Compound Name2-carboxyphenolate carbonate
PubChem CID54676053
Molecular FormulaC8H5O6-3
Molecular Weight197.12 g/mol
Exact Mass197.01
IUPAC Name2-carboxyphenolate carbonate
SMILESO=C(O)c1ccccc1[O-].O=C([O-])[O-]
InChIInChI=1S/C7H6O3.CH2O3/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4/h1-4,8H,(H,9,10);(H2,2,3,4)/p-3
InChIKeyOZZVTYISHDDTTJ-UHFFFAOYSA-K
XLogP-1.99
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
dicalcium bis(2-carboxyphenolate)
CID 158572383
dilithium bis(2-carboxyphenolate)
CID 54690284
magnesium tris(2-carboxyphenolate)
CID 54714197
triazanium;tris(2-carboxyphenolate)
CID 172802459
magnesium bis(2-carboxyphenolate)
CID 54684589
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 2-carboxyphenolate carbonate?
The IUPAC name of 2-carboxyphenolate carbonate (CID 54676053) is 2-carboxyphenolate carbonate.
What is the SMILES notation for 2-carboxyphenolate carbonate?
The canonical SMILES for 2-carboxyphenolate carbonate is O=C(O)c1ccccc1[O-].O=C([O-])[O-].
What is the InChIKey of 2-carboxyphenolate carbonate?
The InChIKey is OZZVTYISHDDTTJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H6O3.CH2O3/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4/h1-4,8H,(H,9,10);(H2,2,3,4)/p-3.
What are the key properties of 2-carboxyphenolate carbonate?
2-carboxyphenolate carbonate has a molecular weight of 197.12 g/mol, XLogP of -1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyphenolate carbonate is sourced from PubChem (CID 54676053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).