propanoic acid;dihydrochloride

C3H8Cl2O2 — CID 87391840

IUPACpropanoic acid;dihydrochloride
SMILESCCC(=O)O.Cl.Cl
InChIInChI=1S/C3H6O2.2ClH/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);2*1H
InChIKeyFXSZGKYGUFCBQY-UHFFFAOYSA-N
MW147.00 g/mol
LogP1.32
Rot. Bonds1

About propanoic acid;dihydrochloride

propanoic acid;dihydrochloride (PubChem CID 87391840) has the molecular formula C3H8Cl2O2 and a molecular weight of 147.00 g/mol. Its IUPAC name is propanoic acid;dihydrochloride.

Molecular Properties

Compound Namepropanoic acid;dihydrochloride
PubChem CID87391840
Molecular FormulaC3H8Cl2O2
Molecular Weight147.00 g/mol
Exact Mass145.99
IUPAC Namepropanoic acid;dihydrochloride
SMILESCCC(=O)O.Cl.Cl
InChIInChI=1S/C3H6O2.2ClH/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);2*1H
InChIKeyFXSZGKYGUFCBQY-UHFFFAOYSA-N
XLogP1.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.00
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;dihydrochloride?
The IUPAC name of propanoic acid;dihydrochloride (CID 87391840) is propanoic acid;dihydrochloride.
What is the SMILES notation for propanoic acid;dihydrochloride?
The canonical SMILES for propanoic acid;dihydrochloride is CCC(=O)O.Cl.Cl.
What is the InChIKey of propanoic acid;dihydrochloride?
The InChIKey is FXSZGKYGUFCBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.2ClH/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);2*1H.
What are the key properties of propanoic acid;dihydrochloride?
propanoic acid;dihydrochloride has a molecular weight of 147.00 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;dihydrochloride is sourced from PubChem (CID 87391840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).