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Details

Stereochemistry RACEMIC
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4A,5,6,8A-TETRAHYDRO-4A,7-DIMETHYLCOUMARIN, CIS-(±)-

SMILES

[H][C@@]12OC(=O)C=C[C@]1(C)CCC(C)=C2

InChI

InChIKey=UEXDOXNLZJFAQI-ONGXEEELSA-N
InChI=1S/C11H14O2/c1-8-3-5-11(2)6-4-10(12)13-9(11)7-8/h4,6-7,9H,3,5H2,1-2H3/t9-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H14O2
Molecular Weight 178.2277
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 12:03:17 GMT 2023
Edited
by admin
on Sat Dec 16 12:03:17 GMT 2023
Record UNII
QDD5JC8S4K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4A,5,6,8A-TETRAHYDRO-4A,7-DIMETHYLCOUMARIN, CIS-(±)-
Common Name English
4A,5,6,8A-TETRAHYDRO-4A,7-DIMETHYLCOUMARIN
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 4A,5,6,8A-TETRAHYDRO-4A,7-DIMETHYL-, CIS-(±)-
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 4A,5,6,8A-TETRAHYDRO-4A,7-DIMETHYL-, (4AR,8AR)-REL-
Systematic Name English
Code System Code Type Description
PUBCHEM
14467656
Created by admin on Sat Dec 16 12:03:17 GMT 2023 , Edited by admin on Sat Dec 16 12:03:17 GMT 2023
PRIMARY
CAS
78267-60-4
Created by admin on Sat Dec 16 12:03:17 GMT 2023 , Edited by admin on Sat Dec 16 12:03:17 GMT 2023
PRIMARY
FDA UNII
QDD5JC8S4K
Created by admin on Sat Dec 16 12:03:17 GMT 2023 , Edited by admin on Sat Dec 16 12:03:17 GMT 2023
PRIMARY