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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O4
Molecular Weight 168.1467
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isodehydracetic acid

SMILES

CC1=CC(=O)OC(C)=C1C(O)=O

InChI

InChIKey=QOADIMYPCZMZSG-UHFFFAOYSA-N
InChI=1S/C8H8O4/c1-4-3-6(9)12-5(2)7(4)8(10)11/h3H,1-2H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C8H8O4
Molecular Weight 168.1467
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 Tue Apr 01 19:25:32 GMT 2025
Edited
by admin
on Tue Apr 01 19:25:32 GMT 2025
Record UNII
Y755M7L6DC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,6-DIMETHYL-5-FORMYLPYRAN-2-ONE
Preferred Name English
Isodehydracetic acid
Common Name English
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-
Systematic Name English
4,6-Dimethylcoumalic acid
Common Name English
NSC-34551
Code English
Coumalic acid, 4,6-dimethyl-
Common Name English
2-Pentenedioic acid, 4-(1-hydroxyethylidene)-3-methyl-, ?-lactone
Systematic Name English
NSC-408066
Code English
Code System Code Type Description
CAS
480-65-9
Created by admin on Tue Apr 01 19:25:32 GMT 2025 , Edited by admin on Tue Apr 01 19:25:32 GMT 2025
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FDA UNII
Y755M7L6DC
Created by admin on Tue Apr 01 19:25:32 GMT 2025 , Edited by admin on Tue Apr 01 19:25:32 GMT 2025
PRIMARY
PUBCHEM
95775
Created by admin on Tue Apr 01 19:25:32 GMT 2025 , Edited by admin on Tue Apr 01 19:25:32 GMT 2025
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EPA CompTox
DTXSID80197386
Created by admin on Tue Apr 01 19:25:32 GMT 2025 , Edited by admin on Tue Apr 01 19:25:32 GMT 2025
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ECHA (EC/EINECS)
207-554-4
Created by admin on Tue Apr 01 19:25:32 GMT 2025 , Edited by admin on Tue Apr 01 19:25:32 GMT 2025
PRIMARY
NSC
34551
Created by admin on Tue Apr 01 19:25:32 GMT 2025 , Edited by admin on Tue Apr 01 19:25:32 GMT 2025
PRIMARY
NSC
408066
Created by admin on Tue Apr 01 19:25:32 GMT 2025 , Edited by admin on Tue Apr 01 19:25:32 GMT 2025
PRIMARY