Ammonium 2-propyloctanoate
PubChem CID
154734363
Structure
Molecular Formula
Synonyms
- Ammonium 2-propyloctanoate
- DTXSID30861469
- 2222181-32-8
Molecular Weight
203.32 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Component Compounds
Dates
- Create:2020-11-20
- Modify:2024-12-07
Chemical Structure Depiction
3D Conformer of Parent
azanium;2-propyloctanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2019.06.18)
InChI=1S/C11H22O2.H3N/c1-3-5-6-7-9-10(8-4-2)11(12)13;/h10H,3-9H2,1-2H3,(H,12,13);1H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CJSLTKCORDEWFP-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCC(CCC)C(=O)[O-].[NH4+]
Computed by OEChem 2.3.0 (PubChem release 2019.06.18)
C11H25NO2
Computed by PubChem 2.1 (PubChem release 2019.06.18)
2222181-32-8
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
203.32 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
203.188529040 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
203.188529040 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
41.1Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
127
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 2019.06.18)
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Same Parent, Connectivity Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- EPA DSSToxAmmonium 2-propyloctanoatehttps://comptox.epa.gov/dashboard/DTXSID30861469CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- PubChem
CONTENTS