acetic acid;formic acid;hydrate

C3H8O5 — CID 158162755

IUPACacetic acid;formic acid;hydrate
SMILESCC(=O)O.O.O=CO
InChIInChI=1S/C2H4O2.CH2O2.H2O/c1-2(3)4;2-1-3;/h1H3,(H,3,4);1H,(H,2,3);1H2
InChIKeyFWMBCNGLMRSLPH-UHFFFAOYSA-N
MW124.09 g/mol
LogP-1.03
Rot. Bonds

About acetic acid;formic acid;hydrate

acetic acid;formic acid;hydrate (PubChem CID 158162755) has the molecular formula C3H8O5 and a molecular weight of 124.09 g/mol. Its IUPAC name is acetic acid;formic acid;hydrate.

Molecular Properties

Compound Nameacetic acid;formic acid;hydrate
PubChem CID158162755
Molecular FormulaC3H8O5
Molecular Weight124.09 g/mol
Exact Mass124.04
IUPAC Nameacetic acid;formic acid;hydrate
SMILESCC(=O)O.O.O=CO
InChIInChI=1S/C2H4O2.CH2O2.H2O/c1-2(3)4;2-1-3;/h1H3,(H,3,4);1H,(H,2,3);1H2
InChIKeyFWMBCNGLMRSLPH-UHFFFAOYSA-N
XLogP-1.03
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;formic acid;hydrate?
The IUPAC name of acetic acid;formic acid;hydrate (CID 158162755) is acetic acid;formic acid;hydrate.
What is the SMILES notation for acetic acid;formic acid;hydrate?
The canonical SMILES for acetic acid;formic acid;hydrate is CC(=O)O.O.O=CO.
What is the InChIKey of acetic acid;formic acid;hydrate?
The InChIKey is FWMBCNGLMRSLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH2O2.H2O/c1-2(3)4;2-1-3;/h1H3,(H,3,4);1H,(H,2,3);1H2.
What are the key properties of acetic acid;formic acid;hydrate?
acetic acid;formic acid;hydrate has a molecular weight of 124.09 g/mol, XLogP of -1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;formic acid;hydrate is sourced from PubChem (CID 158162755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).