propanoic acid;hydrate

C3H8O3 — CID 57432895

IUPACpropanoic acid;hydrate
SMILESCCC(=O)O.O
InChIInChI=1S/C3H6O2.H2O/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H2
InChIKeyGYPZFDNQZCSGND-UHFFFAOYSA-N
MW92.09 g/mol
LogP-0.34
Rot. Bonds1

About propanoic acid;hydrate

propanoic acid;hydrate (PubChem CID 57432895) has the molecular formula C3H8O3 and a molecular weight of 92.09 g/mol. Its IUPAC name is propanoic acid;hydrate.

Molecular Properties

Compound Namepropanoic acid;hydrate
PubChem CID57432895
Molecular FormulaC3H8O3
Molecular Weight92.09 g/mol
Exact Mass92.05
IUPAC Namepropanoic acid;hydrate
SMILESCCC(=O)O.O
InChIInChI=1S/C3H6O2.H2O/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H2
InChIKeyGYPZFDNQZCSGND-UHFFFAOYSA-N
XLogP-0.34
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.09
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;hydrate?
The IUPAC name of propanoic acid;hydrate (CID 57432895) is propanoic acid;hydrate.
What is the SMILES notation for propanoic acid;hydrate?
The canonical SMILES for propanoic acid;hydrate is CCC(=O)O.O.
What is the InChIKey of propanoic acid;hydrate?
The InChIKey is GYPZFDNQZCSGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.H2O/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H2.
What are the key properties of propanoic acid;hydrate?
propanoic acid;hydrate has a molecular weight of 92.09 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;hydrate is sourced from PubChem (CID 57432895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).