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Details

Stereochemistry RACEMIC
Molecular Formula C9H6O3
Molecular Weight 162.1421
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COUMARIN 3,4 EPOXIDE

SMILES

O=C1OC2=C(C=CC=C2)[C@H]3O[C@@H]13

InChI

InChIKey=YGDJSRSAEUNWRE-HTQZYQBOSA-N
InChI=1S/C9H6O3/c10-9-8-7(12-8)5-3-1-2-4-6(5)11-9/h1-4,7-8H/t7-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H6O3
Molecular Weight 162.1421
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 15:24:41 GMT 2023
Edited
by admin
on Sat Dec 16 15:24:41 GMT 2023
Record UNII
MKJ2DB9DRS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COUMARIN 3,4 EPOXIDE
Common Name English
1A,7A-DIHYDRO-7H-OXIRENO(C)(1)BENZOPYRAN-7-ONE
Systematic Name English
7H-OXIRENO(C)(1)BENZOPYRAN-7-ONE, 1A,7A-DIHYDRO-
Systematic Name English
Code System Code Type Description
CAS
143873-69-2
Created by admin on Sat Dec 16 15:24:42 GMT 2023 , Edited by admin on Sat Dec 16 15:24:42 GMT 2023
PRIMARY
FDA UNII
MKJ2DB9DRS
Created by admin on Sat Dec 16 15:24:42 GMT 2023 , Edited by admin on Sat Dec 16 15:24:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID20932132
Created by admin on Sat Dec 16 15:24:42 GMT 2023 , Edited by admin on Sat Dec 16 15:24:42 GMT 2023
PRIMARY
PUBCHEM
155804703
Created by admin on Sat Dec 16 15:24:42 GMT 2023 , Edited by admin on Sat Dec 16 15:24:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE