U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O
Molecular Weight 139.2059
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLACETONE D5

SMILES

[2H]C([2H])([2H])C(=O)C([2H])([2H])C1=CC=CC=C1

InChI

InChIKey=QCCDLTOVEPVEJK-WRMAMSRYSA-N
InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/i1D3,7D2

HIDE SMILES / InChI

Molecular Formula C9H10O
Molecular Weight 139.2059
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 Mon Mar 31 18:05:09 GMT 2025
Edited
by admin
on Mon Mar 31 18:05:09 GMT 2025
Record UNII
ES3WT7W93D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1,1,3,3-PENTADEUTERIO-3-PHENYLPROPAN-2-ONE
Preferred Name English
PHENYLACETONE D5
Common Name English
2-PROPANONE-D5, 1-PHENYL-
Systematic Name English
2-PROPANONE-1,1,1,3,3-D5, 3-PHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10480152
Created by admin on Mon Mar 31 18:05:09 GMT 2025 , Edited by admin on Mon Mar 31 18:05:09 GMT 2025
PRIMARY
PUBCHEM
12200309
Created by admin on Mon Mar 31 18:05:09 GMT 2025 , Edited by admin on Mon Mar 31 18:05:09 GMT 2025
PRIMARY
FDA UNII
ES3WT7W93D
Created by admin on Mon Mar 31 18:05:09 GMT 2025 , Edited by admin on Mon Mar 31 18:05:09 GMT 2025
PRIMARY
CAS
947-14-8
Created by admin on Mon Mar 31 18:05:09 GMT 2025 , Edited by admin on Mon Mar 31 18:05:09 GMT 2025
PRIMARY