formic acid;dihydrate

CH6O4 — CID 57473694

IUPACformic acid;dihydrate
SMILESO.O.O=CO
InChIInChI=1S/CH2O2.2H2O/c2-1-3;;/h1H,(H,2,3);2*1H2
InChIKeyQWMQGDASFYOAQB-UHFFFAOYSA-N
MW82.05 g/mol
LogP-1.95
Rot. Bonds

About formic acid;dihydrate

formic acid;dihydrate (PubChem CID 57473694) has the molecular formula CH6O4 and a molecular weight of 82.05 g/mol. Its IUPAC name is formic acid;dihydrate.

Molecular Properties

Compound Nameformic acid;dihydrate
PubChem CID57473694
Molecular FormulaCH6O4
Molecular Weight82.05 g/mol
Exact Mass82.03
IUPAC Nameformic acid;dihydrate
SMILESO.O.O=CO
InChIInChI=1S/CH2O2.2H2O/c2-1-3;;/h1H,(H,2,3);2*1H2
InChIKeyQWMQGDASFYOAQB-UHFFFAOYSA-N
XLogP-1.95
TPSA100.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.05
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;dihydrate?
The IUPAC name of formic acid;dihydrate (CID 57473694) is formic acid;dihydrate.
What is the SMILES notation for formic acid;dihydrate?
The canonical SMILES for formic acid;dihydrate is O.O.O=CO.
What is the InChIKey of formic acid;dihydrate?
The InChIKey is QWMQGDASFYOAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.2H2O/c2-1-3;;/h1H,(H,2,3);2*1H2.
What are the key properties of formic acid;dihydrate?
formic acid;dihydrate has a molecular weight of 82.05 g/mol, XLogP of -1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;dihydrate is sourced from PubChem (CID 57473694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).