propanoic acid;dihydrobromide

C3H8Br2O2 — CID 140795083

IUPACpropanoic acid;dihydrobromide
SMILESBr.Br.CCC(=O)O
InChIInChI=1S/C3H6O2.2BrH/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);2*1H
InChIKeyKALXVXIXTOIPOB-UHFFFAOYSA-N
MW235.90 g/mol
LogP1.64
Rot. Bonds1

About propanoic acid;dihydrobromide

propanoic acid;dihydrobromide (PubChem CID 140795083) has the molecular formula C3H8Br2O2 and a molecular weight of 235.90 g/mol. Its IUPAC name is propanoic acid;dihydrobromide.

Molecular Properties

Compound Namepropanoic acid;dihydrobromide
PubChem CID140795083
Molecular FormulaC3H8Br2O2
Molecular Weight235.90 g/mol
Exact Mass233.89
IUPAC Namepropanoic acid;dihydrobromide
SMILESBr.Br.CCC(=O)O
InChIInChI=1S/C3H6O2.2BrH/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);2*1H
InChIKeyKALXVXIXTOIPOB-UHFFFAOYSA-N
XLogP1.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.90
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;dihydrobromide?
The IUPAC name of propanoic acid;dihydrobromide (CID 140795083) is propanoic acid;dihydrobromide.
What is the SMILES notation for propanoic acid;dihydrobromide?
The canonical SMILES for propanoic acid;dihydrobromide is Br.Br.CCC(=O)O.
What is the InChIKey of propanoic acid;dihydrobromide?
The InChIKey is KALXVXIXTOIPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.2BrH/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);2*1H.
What are the key properties of propanoic acid;dihydrobromide?
propanoic acid;dihydrobromide has a molecular weight of 235.90 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;dihydrobromide is sourced from PubChem (CID 140795083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).