2-carboxyoxy-6-hydroxybenzoic acid

C8H6O6 — CID 18430416

IUPAC2-carboxyoxy-6-hydroxybenzoic acid
SMILESO=C(O)Oc1cccc(O)c1C(=O)O
InChIInChI=1S/C8H6O6/c9-4-2-1-3-5(14-8(12)13)6(4)7(10)11/h1-3,9H,(H,10,11)(H,12,13)
InChIKeyXSOLAOIEDIAXSF-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.15
Rot. Bonds2

About 2-carboxyoxy-6-hydroxybenzoic acid

2-carboxyoxy-6-hydroxybenzoic acid (PubChem CID 18430416) has the molecular formula C8H6O6 and a molecular weight of 198.13 g/mol. Its IUPAC name is 2-carboxyoxy-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2-carboxyoxy-6-hydroxybenzoic acid
PubChem CID18430416
Molecular FormulaC8H6O6
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name2-carboxyoxy-6-hydroxybenzoic acid
SMILESO=C(O)Oc1cccc(O)c1C(=O)O
InChIInChI=1S/C8H6O6/c9-4-2-1-3-5(14-8(12)13)6(4)7(10)11/h1-3,9H,(H,10,11)(H,12,13)
InChIKeyXSOLAOIEDIAXSF-UHFFFAOYSA-N
XLogP1.15
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid
CID 18628402
2,6-diacetyloxybenzoic acid
CID 10007406
CID 173408230
CID 173408230
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
2-hydroxy-6-(2-methoxy-2-oxoethoxy)benzoic acid
CID 21250849
2-[(2R)-2-(2,3-difluorophenyl)-2-hydroxyacetyl]oxy-6-hydroxybenzoic acid
CID 67115122
2,6-bis(2,2-dimethylpropanoyloxy)benzoic acid
CID 67574318
2-carboxy-3-hydroxyphenolate
CID 54676638
2-acetyloxy-6-nitrooxybenzoic acid
CID 174409758
biphenylen-1-yl hydrogen carbonate
CID 174719796
bis(2-carboxy-3-hydroxyphenolate);iron(2+)
CID 160551769
(2-phenyl-3-tritylphenyl) hydrogen carbonate
CID 66925239

Frequently Asked Questions

What is the IUPAC name of 2-carboxyoxy-6-hydroxybenzoic acid?
The IUPAC name of 2-carboxyoxy-6-hydroxybenzoic acid (CID 18430416) is 2-carboxyoxy-6-hydroxybenzoic acid.
What is the SMILES notation for 2-carboxyoxy-6-hydroxybenzoic acid?
The canonical SMILES for 2-carboxyoxy-6-hydroxybenzoic acid is O=C(O)Oc1cccc(O)c1C(=O)O.
What is the InChIKey of 2-carboxyoxy-6-hydroxybenzoic acid?
The InChIKey is XSOLAOIEDIAXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O6/c9-4-2-1-3-5(14-8(12)13)6(4)7(10)11/h1-3,9H,(H,10,11)(H,12,13).
What are the key properties of 2-carboxyoxy-6-hydroxybenzoic acid?
2-carboxyoxy-6-hydroxybenzoic acid has a molecular weight of 198.13 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyoxy-6-hydroxybenzoic acid is sourced from PubChem (CID 18430416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).