Sodium;2-[1-(3-methoxypropoxy)propan-2-yloxy]acetate
PubChem CID
44144894
Structure
Molecular Formula
Molecular Weight
228.22 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Component Compounds
Dates
- Create:2009-08-20
- Modify:2024-12-07
Chemical Structure Depiction
3D Conformer of Parent
sodium;2-[1-(3-methoxypropoxy)propan-2-yloxy]acetate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C9H18O5.Na/c1-8(14-7-9(10)11)6-13-5-3-4-12-2;/h8H,3-7H2,1-2H3,(H,10,11);/q;+1/p-1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
XNAGLKPXSBGOSD-UHFFFAOYSA-M
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CC(COCCCOC)OCC(=O)[O-].[Na+]
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C9H17NaO5
Computed by PubChem 2.1 (PubChem release 2019.06.18)
165038-56-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
228.22 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
9
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
228.09736792 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
228.09736792 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
67.8Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
153
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2010.01.29)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Acetic acid, 2-[2-(2-methoxymethylethoxy)methylethoxy]-, sodium salt (1:1) (annotation moved to)
- ChemIDplusAcetic acid, 2-(2-(2-methoxymethylethoxy)methylethoxy)-, sodium salt (1:1)https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0165038562ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- PubChem
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