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Details

Stereochemistry RACEMIC
Molecular Formula C9H16O4
Molecular Weight 188.2209
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-ACETOXYHEXANOATE

SMILES

CCCC(CC(=O)OC)OC(C)=O

InChI

InChIKey=ODICPWSNEYHYSJ-UHFFFAOYSA-N
InChI=1S/C9H16O4/c1-4-5-8(13-7(2)10)6-9(11)12-3/h8H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H16O4
Molecular Weight 188.2209
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:07:47 GMT 2023
Edited
by admin
on Fri Dec 15 16:07:47 GMT 2023
Record UNII
HT9X9TG6PT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 3-ACETOXYHEXANOATE
Common Name English
HEXANOIC ACID, 3-HYDROXY-, METHYL ESTER, ACETATE
Common Name English
HEXANOIC ACID, 3-(ACETYLOXY)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80868423
Created by admin on Fri Dec 15 16:07:47 GMT 2023 , Edited by admin on Fri Dec 15 16:07:47 GMT 2023
PRIMARY
FDA UNII
HT9X9TG6PT
Created by admin on Fri Dec 15 16:07:47 GMT 2023 , Edited by admin on Fri Dec 15 16:07:47 GMT 2023
PRIMARY
PUBCHEM
89463
Created by admin on Fri Dec 15 16:07:47 GMT 2023 , Edited by admin on Fri Dec 15 16:07:47 GMT 2023
PRIMARY
CAS
21188-60-3
Created by admin on Fri Dec 15 16:07:47 GMT 2023 , Edited by admin on Fri Dec 15 16:07:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-262-6
Created by admin on Fri Dec 15 16:07:47 GMT 2023 , Edited by admin on Fri Dec 15 16:07:47 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE