deuterioformic acid

CH2O2 — CID 11263466

IUPACdeuterioformic acid
SMILES[2H]C(=O)O
InChIInChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D
InChIKeyBDAGIHXWWSANSR-MICDWDOJSA-N
MW47.03 g/mol
LogP-0.30
Rot. Bonds

About deuterioformic acid

deuterioformic acid (PubChem CID 11263466) has the molecular formula CH2O2 and a molecular weight of 47.03 g/mol. Its IUPAC name is deuterioformic acid.

Molecular Properties

Compound Namedeuterioformic acid
PubChem CID11263466
Molecular FormulaCH2O2
Molecular Weight47.03 g/mol
Exact Mass47.01
IUPAC Namedeuterioformic acid
SMILES[2H]C(=O)O
InChIInChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D
InChIKeyBDAGIHXWWSANSR-MICDWDOJSA-N
XLogP-0.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50047.03
LogP ≤ 5-0.30
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 deuterioformic acid?
The IUPAC name of deuterioformic acid (CID 11263466) is deuterioformic acid.
What is the SMILES notation for deuterioformic acid?
The canonical SMILES for deuterioformic acid is [2H]C(=O)O.
What is the InChIKey of deuterioformic acid?
The InChIKey is BDAGIHXWWSANSR-MICDWDOJSA-N. The full InChI is InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D.
What are the key properties of deuterioformic acid?
deuterioformic acid has a molecular weight of 47.03 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioformic acid is sourced from PubChem (CID 11263466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).