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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H16O4
Molecular Weight 188.2209
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-ACETOXYHEXANOATE, (R)-

SMILES

CCC[C@H](CC(=O)OC)OC(C)=O

InChI

InChIKey=ODICPWSNEYHYSJ-MRVPVSSYSA-N
InChI=1S/C9H16O4/c1-4-5-8(13-7(2)10)6-9(11)12-3/h8H,4-6H2,1-3H3/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H16O4
Molecular Weight 188.2209
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:11:32 GMT 2023
Edited
by admin
on Fri Dec 15 16:11:32 GMT 2023
Record UNII
ZV2XBH5CBD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 3-ACETOXYHEXANOATE, (R)-
Common Name English
HEXANOIC ACID, 3-(ACETYLOXY)-, METHYL ESTER, (R)-
Systematic Name English
METHYL R-3-ACETOXYHEXANOATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID601230999
Created by admin on Fri Dec 15 16:11:32 GMT 2023 , Edited by admin on Fri Dec 15 16:11:32 GMT 2023
PRIMARY
PUBCHEM
12650803
Created by admin on Fri Dec 15 16:11:32 GMT 2023 , Edited by admin on Fri Dec 15 16:11:32 GMT 2023
PRIMARY
CAS
77118-93-5
Created by admin on Fri Dec 15 16:11:32 GMT 2023 , Edited by admin on Fri Dec 15 16:11:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
278-626-0
Created by admin on Fri Dec 15 16:11:32 GMT 2023 , Edited by admin on Fri Dec 15 16:11:32 GMT 2023
PRIMARY
FDA UNII
ZV2XBH5CBD
Created by admin on Fri Dec 15 16:11:32 GMT 2023 , Edited by admin on Fri Dec 15 16:11:32 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER