2-phosphorosooxybenzoic acid

C7H5O4P — CID 69277449

IUPAC2-phosphorosooxybenzoic acid
SMILESO=POc1ccccc1C(=O)O
InChIInChI=1S/C7H5O4P/c8-7(9)5-3-1-2-4-6(5)11-12-10/h1-4H,(H,8,9)
InChIKeyFXGKOJJKWAYMMZ-UHFFFAOYSA-N
MW184.09 g/mol
LogP1.97
Rot. Bonds3

About 2-phosphorosooxybenzoic acid

2-phosphorosooxybenzoic acid (PubChem CID 69277449) has the molecular formula C7H5O4P and a molecular weight of 184.09 g/mol. Its IUPAC name is 2-phosphorosooxybenzoic acid.

Molecular Properties

Compound Name2-phosphorosooxybenzoic acid
PubChem CID69277449
Molecular FormulaC7H5O4P
Molecular Weight184.09 g/mol
Exact Mass183.99
IUPAC Name2-phosphorosooxybenzoic acid
SMILESO=POc1ccccc1C(=O)O
InChIInChI=1S/C7H5O4P/c8-7(9)5-3-1-2-4-6(5)11-12-10/h1-4H,(H,8,9)
InChIKeyFXGKOJJKWAYMMZ-UHFFFAOYSA-N
XLogP1.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-phosphorosooxybenzene-1,2,4-tricarboxylic acid
CID 174773799
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-[dibromo-(2-carboxyphenoxy)methoxy]benzoic acid
CID 142693324
2-sulfooxybenzoic acid;sulfuric acid
CID 68615389
2-bis(2-carboxyphenoxy)phosphoryloxybenzoic acid
CID 23615741
sodium;hydride;2-phosphonooxybenzoic acid
CID 174241105
carbonoperoxoic acid;phthalic acid
CID 87562877
2-fluorosulfonyloxybenzoic acid
CID 130224552
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 2-phosphorosooxybenzoic acid?
The IUPAC name of 2-phosphorosooxybenzoic acid (CID 69277449) is 2-phosphorosooxybenzoic acid.
What is the SMILES notation for 2-phosphorosooxybenzoic acid?
The canonical SMILES for 2-phosphorosooxybenzoic acid is O=POc1ccccc1C(=O)O.
What is the InChIKey of 2-phosphorosooxybenzoic acid?
The InChIKey is FXGKOJJKWAYMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5O4P/c8-7(9)5-3-1-2-4-6(5)11-12-10/h1-4H,(H,8,9).
What are the key properties of 2-phosphorosooxybenzoic acid?
2-phosphorosooxybenzoic acid has a molecular weight of 184.09 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphorosooxybenzoic acid is sourced from PubChem (CID 69277449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).