4-carboxy-2-hydroxyphenolate

C7H5O4- — CID 54675866

IUPAC4-carboxy-2-hydroxyphenolate
SMILESO=C(O)c1ccc([O-])c(O)c1
InChIInChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)/p-1
InChIKeyYQUVCSBJEUQKSH-UHFFFAOYSA-M
MW153.11 g/mol
LogP0.16
Rot. Bonds1

About 4-carboxy-2-hydroxyphenolate

4-carboxy-2-hydroxyphenolate (PubChem CID 54675866) has the molecular formula C7H5O4- and a molecular weight of 153.11 g/mol. Its IUPAC name is 4-carboxy-2-hydroxyphenolate.

Molecular Properties

Compound Name4-carboxy-2-hydroxyphenolate
PubChem CID54675866
Molecular FormulaC7H5O4-
Molecular Weight153.11 g/mol
Exact Mass153.02
IUPAC Name4-carboxy-2-hydroxyphenolate
SMILESO=C(O)c1ccc([O-])c(O)c1
InChIInChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)/p-1
InChIKeyYQUVCSBJEUQKSH-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 4-carboxy-2-hydroxyphenolate?
The IUPAC name of 4-carboxy-2-hydroxyphenolate (CID 54675866) is 4-carboxy-2-hydroxyphenolate.
What is the SMILES notation for 4-carboxy-2-hydroxyphenolate?
The canonical SMILES for 4-carboxy-2-hydroxyphenolate is O=C(O)c1ccc([O-])c(O)c1.
What is the InChIKey of 4-carboxy-2-hydroxyphenolate?
The InChIKey is YQUVCSBJEUQKSH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)/p-1.
What are the key properties of 4-carboxy-2-hydroxyphenolate?
4-carboxy-2-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 4-carboxy-2-hydroxyphenolate is sourced from PubChem (CID 54675866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).