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Details

Stereochemistry ACHIRAL
Molecular Formula C11H16O3
Molecular Weight 196.2434
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HEXYL-3-METHYLMALEIC ANHYDRIDE

SMILES

CCCCCCC1=C(C)C(=O)OC1=O

InChI

InChIKey=SAYHBWSPMUSNEJ-UHFFFAOYSA-N
InChI=1S/C11H16O3/c1-3-4-5-6-7-9-8(2)10(12)14-11(9)13/h3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H16O3
Molecular Weight 196.2434
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 Jun 26 03:39:18 UTC 2021
Edited
by admin
on Sat Jun 26 03:39:18 UTC 2021
Record UNII
VX30JT6S7C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HEXYL-3-METHYLMALEIC ANHYDRIDE
Systematic Name English
2,5-FURANDIONE, 3-HEXYL-4-METHYL-
Systematic Name English
3-HEXYL-4-METHYLFURAN-2,5-DIONE
Systematic Name English
MALEIC ANHYDRIDE, HEXYLMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
VX30JT6S7C
Created by admin on Sat Jun 26 03:39:18 UTC 2021 , Edited by admin on Sat Jun 26 03:39:18 UTC 2021
PRIMARY
CAS
75052-75-4
Created by admin on Sat Jun 26 03:39:18 UTC 2021 , Edited by admin on Sat Jun 26 03:39:18 UTC 2021
PRIMARY
PUBCHEM
11127184
Created by admin on Sat Jun 26 03:39:18 UTC 2021 , Edited by admin on Sat Jun 26 03:39:18 UTC 2021
PRIMARY
EPA CompTox
75052-75-4
Created by admin on Sat Jun 26 03:39:18 UTC 2021 , Edited by admin on Sat Jun 26 03:39:18 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Compound measured as 1.80% of the composition of the steam distillate of Elymus repens rhizome as per R Boesel in Planta Medica iss:4 pg:399-400, 1989.