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Details

Stereochemistry ACHIRAL
Molecular Formula C7H11NO
Molecular Weight 125.1683
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pivaloylacetonitrile

SMILES

CC(C)(C)C(=O)CC#N

InChI

InChIKey=MXZMACXOMZKYHJ-UHFFFAOYSA-N
InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H11NO
Molecular Weight 125.1683
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:01:50 GMT 2025
Edited
by admin
on Tue Apr 01 17:01:50 GMT 2025
Record UNII
MPF9VR4X5R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pentanenitrile, 4,4-dimethyl-3-oxo-
Preferred Name English
Pivaloylacetonitrile
Common Name English
4,4-Dimethyl-3-oxovaleronitrile
Systematic Name English
4,4-Dimethyl-3-oxopentanenitrile
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID6069375
Created by admin on Tue Apr 01 17:01:50 GMT 2025 , Edited by admin on Tue Apr 01 17:01:50 GMT 2025
PRIMARY
ECHA (EC/EINECS)
262-017-1
Created by admin on Tue Apr 01 17:01:50 GMT 2025 , Edited by admin on Tue Apr 01 17:01:50 GMT 2025
PRIMARY
FDA UNII
MPF9VR4X5R
Created by admin on Tue Apr 01 17:01:50 GMT 2025 , Edited by admin on Tue Apr 01 17:01:50 GMT 2025
PRIMARY
CAS
59997-51-2
Created by admin on Tue Apr 01 17:01:50 GMT 2025 , Edited by admin on Tue Apr 01 17:01:50 GMT 2025
PRIMARY
PUBCHEM
108871
Created by admin on Tue Apr 01 17:01:50 GMT 2025 , Edited by admin on Tue Apr 01 17:01:50 GMT 2025
PRIMARY