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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12O4
Molecular Weight 220.2213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7-BIS(HYDROXYMETHYL)-1-BENZOXEPIN-5(2H)-ONE

SMILES

OCC1=CC=C2OCC(CO)=CC(=O)C2=C1

InChI

InChIKey=UCUMDXDXNMSELY-UHFFFAOYSA-N
InChI=1S/C12H12O4/c13-5-8-1-2-12-10(3-8)11(15)4-9(6-14)7-16-12/h1-4,13-14H,5-7H2

HIDE SMILES / InChI

Molecular Formula C12H12O4
Molecular Weight 220.2213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:56:32 GMT 2023
Edited
by admin
on Sat Dec 16 11:56:32 GMT 2023
Record UNII
33AKI0G121
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,7-BIS(HYDROXYMETHYL)-1-BENZOXEPIN-5(2H)-ONE
Systematic Name English
1-BENZOXEPIN-5(2H)-ONE, 3,7-BIS(HYDROXYMETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
101417393
Created by admin on Sat Dec 16 11:56:32 GMT 2023 , Edited by admin on Sat Dec 16 11:56:32 GMT 2023
PRIMARY
CAS
60355-21-7
Created by admin on Sat Dec 16 11:56:32 GMT 2023 , Edited by admin on Sat Dec 16 11:56:32 GMT 2023
PRIMARY
FDA UNII
33AKI0G121
Created by admin on Sat Dec 16 11:56:32 GMT 2023 , Edited by admin on Sat Dec 16 11:56:32 GMT 2023
PRIMARY