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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12O4
Molecular Weight 184.1892
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (1S,5R,6R)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

SMILES

CCOC(=O)C1=C[C@@H](O)[C@H]2O[C@H]2C1

InChI

InChIKey=UAFHUMBBORXHIV-GJMOJQLCSA-N
InChI=1S/C9H12O4/c1-2-12-9(11)5-3-6(10)8-7(4-5)13-8/h3,6-8,10H,2,4H2,1H3/t6-,7+,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H12O4
Molecular Weight 184.1892
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:09:09 GMT 2025
Edited
by admin
on Wed Apr 02 19:09:09 GMT 2025
Record UNII
A5D8R4LR3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-hydroxy-, ethyl ester, (1S,5R,6R)-
Preferred Name English
Ethyl (1S,5R,6R)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
Systematic Name English
Code System Code Type Description
CAS
876014-27-6
Created by admin on Wed Apr 02 19:09:09 GMT 2025 , Edited by admin on Wed Apr 02 19:09:09 GMT 2025
PRIMARY
PUBCHEM
11694013
Created by admin on Wed Apr 02 19:09:09 GMT 2025 , Edited by admin on Wed Apr 02 19:09:09 GMT 2025
PRIMARY
FDA UNII
A5D8R4LR3A
Created by admin on Wed Apr 02 19:09:09 GMT 2025 , Edited by admin on Wed Apr 02 19:09:09 GMT 2025
PRIMARY