phosphoric acid

H3O4P — CID 1004

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IUPACphosphoric acid
SMILESO=P(O)(O)O
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-N
MW97.99 g/mol
LogP-0.93
Rot. Bonds

About phosphoric acid

phosphoric acid (PubChem CID 1004) has the molecular formula H3O4P and a molecular weight of 97.99 g/mol. Its IUPAC name is phosphoric acid.

Molecular Properties

Compound Namephosphoric acid
PubChem CID1004
Molecular FormulaH3O4P
Molecular Weight97.99 g/mol
Exact Mass97.98
IUPAC Namephosphoric acid
SMILESO=P(O)(O)O
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-N
XLogP-0.93
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.99
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Monobasic potassium phosphate
CID 516951
Phosphate
CID 1061
Monosodium phosphate
CID 23672064
Calcium hydrogen phosphate
CID 24441
Phosphoric acid, beryllium salt (1:1)
CID 26127
Concise etchant
CID 22486802
Magnesium Hydrogen Phosphate
CID 123955
Metaphosphoric Acid
CID 3084658
Dihydrogenphosphate
CID 1003
Copper hydroxide phosphate (Cu2(OH)(PO4))
CID 166635
(3H)Phosphoric acid
CID 3084191
Barium phosphate, dibasic
CID 6096957

Frequently Asked Questions

What is the IUPAC name of phosphoric acid?
The IUPAC name of phosphoric acid (CID 1004) is phosphoric acid.
What is the SMILES notation for phosphoric acid?
The canonical SMILES for phosphoric acid is O=P(O)(O)O.
What is the InChIKey of phosphoric acid?
The InChIKey is NBIIXXVUZAFLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4).
What are the key properties of phosphoric acid?
phosphoric acid has a molecular weight of 97.99 g/mol, XLogP of -0.93, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid is sourced from PubChem (CID 1004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).