formic acid;hydrate

CH4O3 — CID 18673298

IUPACformic acid;hydrate
SMILESO.O=CO
InChIInChI=1S/CH2O2.H2O/c2-1-3;/h1H,(H,2,3);1H2
InChIKeyHQVFCQRVQFYGRJ-UHFFFAOYSA-N
MW64.04 g/mol
LogP-1.12
Rot. Bonds

About formic acid;hydrate

formic acid;hydrate (PubChem CID 18673298) has the molecular formula CH4O3 and a molecular weight of 64.04 g/mol. Its IUPAC name is formic acid;hydrate.

Molecular Properties

Compound Nameformic acid;hydrate
PubChem CID18673298
Molecular FormulaCH4O3
Molecular Weight64.04 g/mol
Exact Mass64.02
IUPAC Nameformic acid;hydrate
SMILESO.O=CO
InChIInChI=1S/CH2O2.H2O/c2-1-3;/h1H,(H,2,3);1H2
InChIKeyHQVFCQRVQFYGRJ-UHFFFAOYSA-N
XLogP-1.12
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50064.04
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze formic acid;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Formic Acid
CID 284
Formic acid, lead salt
CID 54601501
Formic acid (ammonium salt)
CID 10904
Formic acid, cadmium salt
CID 54601500
(2H)Formic (2)acid
CID 123092
Formic-13C acid
CID 11115974
Formic-d acid
CID 11263466
Rubidium formate
CID 45052002
Formic [2H]acid
CID 12220501
Manganese diformate
CID 3083794
An omega-hydroxy-medium-chain fatty acid
CID 22643996
Formic acid, copper salt
CID 44152240

Frequently Asked Questions

What is the IUPAC name of formic acid;hydrate?
The IUPAC name of formic acid;hydrate (CID 18673298) is formic acid;hydrate.
What is the SMILES notation for formic acid;hydrate?
The canonical SMILES for formic acid;hydrate is O.O=CO.
What is the InChIKey of formic acid;hydrate?
The InChIKey is HQVFCQRVQFYGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.H2O/c2-1-3;/h1H,(H,2,3);1H2.
What are the key properties of formic acid;hydrate?
formic acid;hydrate has a molecular weight of 64.04 g/mol, XLogP of -1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;hydrate is sourced from PubChem (CID 18673298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).