propanoate;hydrate

C3H7O3- — CID 19032208

IUPACpropanoate;hydrate
SMILESCCC(=O)[O-].O
InChIInChI=1S/C3H6O2.H2O/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H2/p-1
InChIKeyGYPZFDNQZCSGND-UHFFFAOYSA-M
MW91.09 g/mol
LogP-1.68
Rot. Bonds1

About propanoate;hydrate

propanoate;hydrate (PubChem CID 19032208) has the molecular formula C3H7O3- and a molecular weight of 91.09 g/mol. Its IUPAC name is propanoate;hydrate.

Molecular Properties

Compound Namepropanoate;hydrate
PubChem CID19032208
Molecular FormulaC3H7O3-
Molecular Weight91.09 g/mol
Exact Mass91.04
IUPAC Namepropanoate;hydrate
SMILESCCC(=O)[O-].O
InChIInChI=1S/C3H6O2.H2O/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H2/p-1
InChIKeyGYPZFDNQZCSGND-UHFFFAOYSA-M
XLogP-1.68
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.09
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57352970
CID 57352970
copper(1+);propanoate
CID 22149607
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CID 88778777
indium(1+);propanoate
CID 101213769
trisodium;propanoate
CID 86625665
bis(cobalt(2+));propanoate;diacetate
CID 173406713
magnesium;zinc;propanoate
CID 22462046
antimony(3+);propanoate;diacetate
CID 23464193

Frequently Asked Questions

What is the IUPAC name of propanoate;hydrate?
The IUPAC name of propanoate;hydrate (CID 19032208) is propanoate;hydrate.
What is the SMILES notation for propanoate;hydrate?
The canonical SMILES for propanoate;hydrate is CCC(=O)[O-].O.
What is the InChIKey of propanoate;hydrate?
The InChIKey is GYPZFDNQZCSGND-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O2.H2O/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H2/p-1.
What are the key properties of propanoate;hydrate?
propanoate;hydrate has a molecular weight of 91.09 g/mol, XLogP of -1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoate;hydrate is sourced from PubChem (CID 19032208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).