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Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO
Molecular Weight 145.158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ACETYLBENZONITRILE

SMILES

CC(=O)C1=CC=CC(=C1)C#N

InChI

InChIKey=SBCFGFDAZCTSRH-UHFFFAOYSA-N
InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C9H7NO
Molecular Weight 145.158
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 Fri Dec 15 18:05:17 GMT 2023
Edited
by admin
on Fri Dec 15 18:05:17 GMT 2023
Record UNII
TSJ72034P9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ACETYLBENZONITRILE
Systematic Name English
NSC-210360
Code English
Code System Code Type Description
CAS
6136-68-1
Created by admin on Fri Dec 15 18:05:17 GMT 2023 , Edited by admin on Fri Dec 15 18:05:17 GMT 2023
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FDA UNII
TSJ72034P9
Created by admin on Fri Dec 15 18:05:17 GMT 2023 , Edited by admin on Fri Dec 15 18:05:17 GMT 2023
PRIMARY
PUBCHEM
80222
Created by admin on Fri Dec 15 18:05:17 GMT 2023 , Edited by admin on Fri Dec 15 18:05:17 GMT 2023
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NSC
210360
Created by admin on Fri Dec 15 18:05:17 GMT 2023 , Edited by admin on Fri Dec 15 18:05:17 GMT 2023
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EPA CompTox
DTXSID50210273
Created by admin on Fri Dec 15 18:05:17 GMT 2023 , Edited by admin on Fri Dec 15 18:05:17 GMT 2023
PRIMARY
ECHA (EC/EINECS)
228-110-6
Created by admin on Fri Dec 15 18:05:17 GMT 2023 , Edited by admin on Fri Dec 15 18:05:17 GMT 2023
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