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Details

Stereochemistry ACHIRAL
Molecular Formula C8H12O2
Molecular Weight 140.1797
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-OCTYNOIC ACID

SMILES

CCCCCC#CC(O)=O

InChI

InChIKey=BQDKCWCMDBMLEH-UHFFFAOYSA-N
InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C8H12O2
Molecular Weight 140.1797
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 Sat Dec 16 12:27:51 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:51 GMT 2023
Record UNII
I7TMI3HR1Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-OCTYNOIC ACID
Systematic Name English
2-OCTYN-1-OIC ACID
Systematic Name English
NSC-75855
Code English
PENTYLPROPIOLIC ACID
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
227-121-3
Created by admin on Sat Dec 16 12:27:51 GMT 2023 , Edited by admin on Sat Dec 16 12:27:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID50205205
Created by admin on Sat Dec 16 12:27:51 GMT 2023 , Edited by admin on Sat Dec 16 12:27:51 GMT 2023
PRIMARY
CHEBI
60295
Created by admin on Sat Dec 16 12:27:51 GMT 2023 , Edited by admin on Sat Dec 16 12:27:51 GMT 2023
PRIMARY
PUBCHEM
21872
Created by admin on Sat Dec 16 12:27:51 GMT 2023 , Edited by admin on Sat Dec 16 12:27:51 GMT 2023
PRIMARY
FDA UNII
I7TMI3HR1Y
Created by admin on Sat Dec 16 12:27:51 GMT 2023 , Edited by admin on Sat Dec 16 12:27:51 GMT 2023
PRIMARY
NSC
75855
Created by admin on Sat Dec 16 12:27:51 GMT 2023 , Edited by admin on Sat Dec 16 12:27:51 GMT 2023
PRIMARY
CAS
5663-96-7
Created by admin on Sat Dec 16 12:27:51 GMT 2023 , Edited by admin on Sat Dec 16 12:27:51 GMT 2023
PRIMARY