2-phosphonooxybenzoic acid

C7H7O6P — CID 3418

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IUPAC2-phosphonooxybenzoic acid
SMILESO=C(O)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
InChIKeyFFKUDWZICMJVPA-UHFFFAOYSA-N
MW218.10 g/mol
LogP0.86
Rot. Bonds3

About 2-phosphonooxybenzoic acid

2-phosphonooxybenzoic acid (PubChem CID 3418) has the molecular formula C7H7O6P and a molecular weight of 218.10 g/mol. Its IUPAC name is 2-phosphonooxybenzoic acid.

Molecular Properties

Compound Name2-phosphonooxybenzoic acid
PubChem CID3418
Molecular FormulaC7H7O6P
Molecular Weight218.10 g/mol
Exact Mass218.00
IUPAC Name2-phosphonooxybenzoic acid
SMILESO=C(O)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
InChIKeyFFKUDWZICMJVPA-UHFFFAOYSA-N
XLogP0.86
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Salicylic Acid
CID 338
Methyl Salicylate
CID 4133
2,5-Dihydroxybenzoic acid
CID 3469
Sodium Salicylate
CID 16760658
Salicylate
CID 54675850
3-Methylsalicylic Acid
CID 6738
2,4-Dihydroxybenzoic Acid
CID 1491
2,6-Dihydroxybenzoic Acid
CID 9338
Bismuth Subsalicylate
CID 53629521
(T-4)-Bis(2-(hydroxy-kappaO)benzoato-kappaO)magnesium
CID 54684589
Potassium Salicylate
CID 23664627
5-Methylsalicylic acid
CID 6973

Frequently Asked Questions

What is the IUPAC name of 2-phosphonooxybenzoic acid?
The IUPAC name of 2-phosphonooxybenzoic acid (CID 3418) is 2-phosphonooxybenzoic acid.
What is the SMILES notation for 2-phosphonooxybenzoic acid?
The canonical SMILES for 2-phosphonooxybenzoic acid is O=C(O)c1ccccc1OP(=O)(O)O.
What is the InChIKey of 2-phosphonooxybenzoic acid?
The InChIKey is FFKUDWZICMJVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12).
What are the key properties of 2-phosphonooxybenzoic acid?
2-phosphonooxybenzoic acid has a molecular weight of 218.10 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphonooxybenzoic acid is sourced from PubChem (CID 3418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).