formic acid;hydrate;hydrochloride

CH5ClO3 — CID 88772125

IUPACformic acid;hydrate;hydrochloride
SMILESCl.O.O=CO
InChIInChI=1S/CH2O2.ClH.H2O/c2-1-3;;/h1H,(H,2,3);1H;1H2
InChIKeyNQTOJCAEGRJRED-UHFFFAOYSA-N
MW100.50 g/mol
LogP-0.70
Rot. Bonds

About formic acid;hydrate;hydrochloride

formic acid;hydrate;hydrochloride (PubChem CID 88772125) has the molecular formula CH5ClO3 and a molecular weight of 100.50 g/mol. Its IUPAC name is formic acid;hydrate;hydrochloride.

Molecular Properties

Compound Nameformic acid;hydrate;hydrochloride
PubChem CID88772125
Molecular FormulaCH5ClO3
Molecular Weight100.50 g/mol
Exact Mass99.99
IUPAC Nameformic acid;hydrate;hydrochloride
SMILESCl.O.O=CO
InChIInChI=1S/CH2O2.ClH.H2O/c2-1-3;;/h1H,(H,2,3);1H;1H2
InChIKeyNQTOJCAEGRJRED-UHFFFAOYSA-N
XLogP-0.70
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.50
LogP ≤ 5-0.70
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;hydrate;hydrochloride?
The IUPAC name of formic acid;hydrate;hydrochloride (CID 88772125) is formic acid;hydrate;hydrochloride.
What is the SMILES notation for formic acid;hydrate;hydrochloride?
The canonical SMILES for formic acid;hydrate;hydrochloride is Cl.O.O=CO.
What is the InChIKey of formic acid;hydrate;hydrochloride?
The InChIKey is NQTOJCAEGRJRED-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.ClH.H2O/c2-1-3;;/h1H,(H,2,3);1H;1H2.
What are the key properties of formic acid;hydrate;hydrochloride?
formic acid;hydrate;hydrochloride has a molecular weight of 100.50 g/mol, XLogP of -0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;hydrate;hydrochloride is sourced from PubChem (CID 88772125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).