2-carboxy-4-hydroxyphenolate

C7H5O4- — CID 54675839

IUPAC2-carboxy-4-hydroxyphenolate
SMILESO=C(O)c1cc(O)ccc1[O-]
InChIInChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)/p-1
InChIKeyWXTMDXOMEHJXQO-UHFFFAOYSA-M
MW153.11 g/mol
LogP0.16
Rot. Bonds1

About 2-carboxy-4-hydroxyphenolate

2-carboxy-4-hydroxyphenolate (PubChem CID 54675839) has the molecular formula C7H5O4- and a molecular weight of 153.11 g/mol. Its IUPAC name is 2-carboxy-4-hydroxyphenolate.

Molecular Properties

Compound Name2-carboxy-4-hydroxyphenolate
PubChem CID54675839
Molecular FormulaC7H5O4-
Molecular Weight153.11 g/mol
Exact Mass153.02
IUPAC Name2-carboxy-4-hydroxyphenolate
SMILESO=C(O)c1cc(O)ccc1[O-]
InChIInChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)/p-1
InChIKeyWXTMDXOMEHJXQO-UHFFFAOYSA-M
XLogP0.16
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.11
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-carboxy-4-hydroxyphenolate?
The IUPAC name of 2-carboxy-4-hydroxyphenolate (CID 54675839) is 2-carboxy-4-hydroxyphenolate.
What is the SMILES notation for 2-carboxy-4-hydroxyphenolate?
The canonical SMILES for 2-carboxy-4-hydroxyphenolate is O=C(O)c1cc(O)ccc1[O-].
What is the InChIKey of 2-carboxy-4-hydroxyphenolate?
The InChIKey is WXTMDXOMEHJXQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)/p-1.
What are the key properties of 2-carboxy-4-hydroxyphenolate?
2-carboxy-4-hydroxyphenolate has a molecular weight of 153.11 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-4-hydroxyphenolate is sourced from PubChem (CID 54675839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).