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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H16O3
Molecular Weight 172.2215
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (1S,2S)-2-(hydroxymethyl)cyclohexane-1-carboxylate

SMILES

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

InChI

InChIKey=KZNXMMWIDJRYAG-SFYZADRCSA-N
InChI=1S/C9H16O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Cyclohexanecarboxylic acid, 2-(hydroxymethyl)-, methyl ester, (1S-trans)-
Preferred Name English
Methyl (1S,2S)-2-(hydroxymethyl)cyclohexane-1-carboxylate
Systematic Name English
Methyl (1S,2S)-2-(hydroxymethyl)cyclohexanecarboxylate
Systematic Name English
Code System Code Type Description
FDA UNII
5G9JUF3VVF
Created by admin on Wed Apr 02 19:18:14 GMT 2025 , Edited by admin on Wed Apr 02 19:18:14 GMT 2025
PRIMARY
CAS
116261-06-4
Created by admin on Wed Apr 02 19:18:14 GMT 2025 , Edited by admin on Wed Apr 02 19:18:14 GMT 2025
PRIMARY
PUBCHEM
14127586
Created by admin on Wed Apr 02 19:18:14 GMT 2025 , Edited by admin on Wed Apr 02 19:18:14 GMT 2025
PRIMARY
NIH
NCATS
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