formic acid;2-sulfooxybenzoic acid

C8H8O8S — CID 175322032

IUPACformic acid;2-sulfooxybenzoic acid
SMILESO=C(O)c1ccccc1OS(=O)(=O)O.O=CO
InChIInChI=1S/C7H6O6S.CH2O2/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;2-1-3/h1-4H,(H,8,9)(H,10,11,12);1H,(H,2,3)
InChIKeyHHXHOLDVSISGEI-UHFFFAOYSA-N
MW264.21 g/mol
LogP0.27
Rot. Bonds3

About formic acid;2-sulfooxybenzoic acid

formic acid;2-sulfooxybenzoic acid (PubChem CID 175322032) has the molecular formula C8H8O8S and a molecular weight of 264.21 g/mol. Its IUPAC name is formic acid;2-sulfooxybenzoic acid.

Molecular Properties

Compound Nameformic acid;2-sulfooxybenzoic acid
PubChem CID175322032
Molecular FormulaC8H8O8S
Molecular Weight264.21 g/mol
Exact Mass263.99
IUPAC Nameformic acid;2-sulfooxybenzoic acid
SMILESO=C(O)c1ccccc1OS(=O)(=O)O.O=CO
InChIInChI=1S/C7H6O6S.CH2O2/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;2-1-3/h1-4H,(H,8,9)(H,10,11,12);1H,(H,2,3)
InChIKeyHHXHOLDVSISGEI-UHFFFAOYSA-N
XLogP0.27
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-sulfooxybenzoic acid;sulfuric acid
CID 68615389
formic acid;phthalic acid
CID 159829564
2-fluorosulfonyloxybenzoic acid
CID 130224552
2-ethenylsulfonyloxybenzoic acid
CID 90205575
2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-sulfooxybenzoic acid
CID 175437149
1H-imidazole;2-sulfooxybenzoic acid
CID 174709210
ethanesulfonic acid;4-methylbenzenesulfonic acid;2-sulfooxybenzoic acid
CID 87433563
(2-sulfooxyphenyl) hydrogen carbonate
CID 70118698
prop-2-enyl 2-sulfooxybenzoate
CID 175173068
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-methanehydrazonoyloxybenzoic acid
CID 70116086
2-Biphenylyl Sulfate Potassium Salt
CID 171369906

Frequently Asked Questions

What is the IUPAC name of formic acid;2-sulfooxybenzoic acid?
The IUPAC name of formic acid;2-sulfooxybenzoic acid (CID 175322032) is formic acid;2-sulfooxybenzoic acid.
What is the SMILES notation for formic acid;2-sulfooxybenzoic acid?
The canonical SMILES for formic acid;2-sulfooxybenzoic acid is O=C(O)c1ccccc1OS(=O)(=O)O.O=CO.
What is the InChIKey of formic acid;2-sulfooxybenzoic acid?
The InChIKey is HHXHOLDVSISGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O6S.CH2O2/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;2-1-3/h1-4H,(H,8,9)(H,10,11,12);1H,(H,2,3).
What are the key properties of formic acid;2-sulfooxybenzoic acid?
formic acid;2-sulfooxybenzoic acid has a molecular weight of 264.21 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-sulfooxybenzoic acid is sourced from PubChem (CID 175322032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).