sodium;hydride;2-phosphonooxybenzoic acid

C7H8NaO6P — CID 174241105

IUPACsodium;hydride;2-phosphonooxybenzoic acid
SMILESO=C(O)c1ccccc1OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C7H7O6P.Na.H/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;;/h1-4H,(H,8,9)(H2,10,11,12);;/q;+1;-1
InChIKeyIJAPZJPYHIIVPA-UHFFFAOYSA-N
MW242.10 g/mol
LogP-2.03
Rot. Bonds3

About sodium;hydride;2-phosphonooxybenzoic acid

sodium;hydride;2-phosphonooxybenzoic acid (PubChem CID 174241105) has the molecular formula C7H8NaO6P and a molecular weight of 242.10 g/mol. Its IUPAC name is sodium;hydride;2-phosphonooxybenzoic acid.

Molecular Properties

Compound Namesodium;hydride;2-phosphonooxybenzoic acid
PubChem CID174241105
Molecular FormulaC7H8NaO6P
Molecular Weight242.10 g/mol
Exact Mass242.00
IUPAC Namesodium;hydride;2-phosphonooxybenzoic acid
SMILESO=C(O)c1ccccc1OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C7H7O6P.Na.H/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;;/h1-4H,(H,8,9)(H2,10,11,12);;/q;+1;-1
InChIKeyIJAPZJPYHIIVPA-UHFFFAOYSA-N
XLogP-2.03
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 5-2.03
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

2-bis(2-carboxyphenoxy)phosphoryloxybenzoic acid
CID 23615741
8-phosphonooxynaphthalene-1-carboxylic acid
CID 171384485
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
phosphoric acid;phthalic acid
CID 175071379
2-phosphorosooxybenzoic acid
CID 69277449
sodium;hydride;phthalic acid;hydrate
CID 173204002
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-acetyloxyethyl 2-phosphonooxybenzoate
CID 58511809
lithium;(2-aminophenyl) dihydrogen phosphate;hydride
CID 175194411
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
(3-acetyl-2-iodylphenyl) dihydrogen phosphate
CID 23357307
dilithium;hydride;phthalic acid
CID 173011412

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-phosphonooxybenzoic acid?
The IUPAC name of sodium;hydride;2-phosphonooxybenzoic acid (CID 174241105) is sodium;hydride;2-phosphonooxybenzoic acid.
What is the SMILES notation for sodium;hydride;2-phosphonooxybenzoic acid?
The canonical SMILES for sodium;hydride;2-phosphonooxybenzoic acid is O=C(O)c1ccccc1OP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-phosphonooxybenzoic acid?
The InChIKey is IJAPZJPYHIIVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O6P.Na.H/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;;/h1-4H,(H,8,9)(H2,10,11,12);;/q;+1;-1.
What are the key properties of sodium;hydride;2-phosphonooxybenzoic acid?
sodium;hydride;2-phosphonooxybenzoic acid has a molecular weight of 242.10 g/mol, XLogP of -2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-phosphonooxybenzoic acid is sourced from PubChem (CID 174241105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).