2,2-Dimethylpropanenitrile--zinc (1/1)
PubChem CID
71411349
Structure
Molecular Formula
Synonyms
- 2,2-Dimethylpropanenitrile--zinc (1/1)
- 88029-13-4
- DTXSID00830965
Molecular Weight
148.5 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Component Compounds
Dates
- Create:2013-05-22
- Modify:2024-12-07
Chemical Structure Depiction
3D Conformer of Parent
2,2-dimethylpropanenitrile;zinc
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C5H9N.Zn/c1-5(2,3)4-6;/h1-3H3;
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
JMIXENPLELHQMC-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CC(C)(C)C#N.[Zn]
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C5H9NZn
Computed by PubChem 2.1 (PubChem release 2019.06.18)
88029-13-4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
148.5 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
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
147.002641 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
147.002641 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
23.8Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
7
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
77.8
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
0
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 2012.11.26)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- EPA DSSTox2,2-Dimethylpropanenitrile--zinc (1/1)https://comptox.epa.gov/dashboard/DTXSID00830965CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Wikidata2,2-Dimethylpropanenitrile--zinc (1/1)https://www.wikidata.org/wiki/Q82816755
- PubChem
CONTENTS