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Details

Stereochemistry MIXED
Molecular Formula C9H14O2
Molecular Weight 154.2063
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTAHYDROBENZOPYRAN-3-ONE

SMILES

O=C1CC2CCCCC2CO1

InChI

InChIKey=AYMWCZFEDLLHMI-UHFFFAOYSA-N
InChI=1S/C9H14O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h7-8H,1-6H2

HIDE SMILES / InChI

Molecular Formula C9H14O2
Molecular Weight 154.2063
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:33:51 GMT 2025
Edited
by admin
on Mon Mar 31 22:33:51 GMT 2025
Record UNII
I081SP102B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPA PESTICIDE CHEMICAL CODE 129096
Preferred Name English
OCTAHYDROBENZOPYRAN-3-ONE
Systematic Name English
NSC-134787
Code English
OCTAHYDRO-3H-ISOCHROMEN-3-ONE
Systematic Name English
3-ISOCHROMANONE, HEXAHYDRO-
Systematic Name English
CIC-4
Common Name English
(2-HYDROXYMETHYLCYCLOHEXYL)ACETIC ACID LACTONE
Systematic Name English
CYCLOHEXANEACETIC ACID, 2-(HYDROXYMETHYL)-, .DELTA.-LACTONE
Common Name English
3H-2-BENZOPYRAN-3-ONE, OCTAHYDRO-
Systematic Name English
1,4,4A,5,6,7,8,8A-OCTAHYDROISOCHROMEN-3-ONE
Systematic Name English
Code System Code Type Description
CAS
21962-62-9
Created by admin on Mon Mar 31 22:33:51 GMT 2025 , Edited by admin on Mon Mar 31 22:33:51 GMT 2025
PRIMARY
FDA UNII
I081SP102B
Created by admin on Mon Mar 31 22:33:51 GMT 2025 , Edited by admin on Mon Mar 31 22:33:51 GMT 2025
PRIMARY
PUBCHEM
98453
Created by admin on Mon Mar 31 22:33:51 GMT 2025 , Edited by admin on Mon Mar 31 22:33:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID1034268
Created by admin on Mon Mar 31 22:33:51 GMT 2025 , Edited by admin on Mon Mar 31 22:33:51 GMT 2025
PRIMARY
NSC
134787
Created by admin on Mon Mar 31 22:33:51 GMT 2025 , Edited by admin on Mon Mar 31 22:33:51 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY
ED50 (Anopheles stephensi): 4.9 mcg/cm2
Scientific Literature