2-sulfooxybenzoic acid;sulfuric acid

C7H8O10S2 — CID 68615389

IUPAC2-sulfooxybenzoic acid;sulfuric acid
SMILESO=C(O)c1ccccc1OS(=O)(=O)O.O=S(=O)(O)O
InChIInChI=1S/C7H6O6S.H2O4S/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;1-5(2,3)4/h1-4H,(H,8,9)(H,10,11,12);(H2,1,2,3,4)
InChIKeyYJWFSWFDBUBDHR-UHFFFAOYSA-N
MW316.26 g/mol
LogP-0.09
Rot. Bonds3

About 2-sulfooxybenzoic acid;sulfuric acid

2-sulfooxybenzoic acid;sulfuric acid (PubChem CID 68615389) has the molecular formula C7H8O10S2 and a molecular weight of 316.26 g/mol. Its IUPAC name is 2-sulfooxybenzoic acid;sulfuric acid.

Molecular Properties

Compound Name2-sulfooxybenzoic acid;sulfuric acid
PubChem CID68615389
Molecular FormulaC7H8O10S2
Molecular Weight316.26 g/mol
Exact Mass315.96
IUPAC Name2-sulfooxybenzoic acid;sulfuric acid
SMILESO=C(O)c1ccccc1OS(=O)(=O)O.O=S(=O)(O)O
InChIInChI=1S/C7H6O6S.H2O4S/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;1-5(2,3)4/h1-4H,(H,8,9)(H,10,11,12);(H2,1,2,3,4)
InChIKeyYJWFSWFDBUBDHR-UHFFFAOYSA-N
XLogP-0.09
TPSA175.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

formic acid;2-sulfooxybenzoic acid
CID 175322032
2-fluorosulfonyloxybenzoic acid
CID 130224552
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
2-ethenylsulfonyloxybenzoic acid
CID 90205575
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
disodium;hydride;2-hydroxybenzoic acid;sulfuric acid
CID 173294858
prop-2-enyl 2-sulfooxybenzoate
CID 175173068
2-Biphenylyl Sulfate Potassium Salt
CID 171369906
dilithium;hydride;phthalic acid
CID 173011412

Frequently Asked Questions

What is the IUPAC name of 2-sulfooxybenzoic acid;sulfuric acid?
The IUPAC name of 2-sulfooxybenzoic acid;sulfuric acid (CID 68615389) is 2-sulfooxybenzoic acid;sulfuric acid.
What is the SMILES notation for 2-sulfooxybenzoic acid;sulfuric acid?
The canonical SMILES for 2-sulfooxybenzoic acid;sulfuric acid is O=C(O)c1ccccc1OS(=O)(=O)O.O=S(=O)(O)O.
What is the InChIKey of 2-sulfooxybenzoic acid;sulfuric acid?
The InChIKey is YJWFSWFDBUBDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O6S.H2O4S/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;1-5(2,3)4/h1-4H,(H,8,9)(H,10,11,12);(H2,1,2,3,4).
What are the key properties of 2-sulfooxybenzoic acid;sulfuric acid?
2-sulfooxybenzoic acid;sulfuric acid has a molecular weight of 316.26 g/mol, XLogP of -0.09, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfooxybenzoic acid;sulfuric acid is sourced from PubChem (CID 68615389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).