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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10O2
Molecular Weight 198.2173
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAPILLARIN

SMILES

CC#CCC1=CC2=CC=CC=C2C(=O)O1

InChI

InChIKey=KUJLPCYCQICVRM-UHFFFAOYSA-N
InChI=1S/C13H10O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8-9H,7H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H10O2
Molecular Weight 198.2173
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 10:00:58 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:58 GMT 2023
Record UNII
G5ANW3JF5K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAPILLARIN
Common Name English
3-(2-BUTYNYL)-1H-2-BENZOPYRAN-1-ONE
Systematic Name English
3-(BUT-2-YNYL) ISOCOUMARIN
Common Name English
1H-2-BENZOPYRAN-1-ONE, 3-(2-BUTYNYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
G5ANW3JF5K
Created by admin on Sat Dec 16 10:00:58 GMT 2023 , Edited by admin on Sat Dec 16 10:00:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID50189218
Created by admin on Sat Dec 16 10:00:58 GMT 2023 , Edited by admin on Sat Dec 16 10:00:58 GMT 2023
PRIMARY
PUBCHEM
3083811
Created by admin on Sat Dec 16 10:00:58 GMT 2023 , Edited by admin on Sat Dec 16 10:00:58 GMT 2023
PRIMARY
CAS
3570-28-3
Created by admin on Sat Dec 16 10:00:58 GMT 2023 , Edited by admin on Sat Dec 16 10:00:58 GMT 2023
PRIMARY