U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H16O3
Molecular Weight 172.2215
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-HYDROXYMETHYLCYCLOHEXANECARBOXYLATE, CIS-

SMILES

COC(=O)[C@@H]1CC[C@H](CO)CC1

InChI

InChIKey=KOGYKIDJFOMAOF-OCAPTIKFSA-N
InChI=1S/C9H16O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3/t7-,8+

HIDE SMILES / InChI

Molecular Formula C9H16O3
Molecular Weight 172.2215
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:20:04 GMT 2023
Edited
by admin
on Sat Dec 16 10:20:04 GMT 2023
Record UNII
M86577ODUE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-HYDROXYMETHYLCYCLOHEXANECARBOXYLATE, CIS-
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 4-(HYDROXYMETHYL)-, METHYL ESTER, CIS-
Systematic Name English
CIS-4-(METHOXYCARBOXYL)CYCLOHEXANEMETHANOL
Systematic Name English
Code System Code Type Description
FDA UNII
M86577ODUE
Created by admin on Sat Dec 16 10:20:04 GMT 2023 , Edited by admin on Sat Dec 16 10:20:04 GMT 2023
PRIMARY
CAS
110928-45-5
Created by admin on Sat Dec 16 10:20:04 GMT 2023 , Edited by admin on Sat Dec 16 10:20:04 GMT 2023
PRIMARY