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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14O3
Molecular Weight 266.2913
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-BENZYL-4-METHYLUMBELLIFERONE

SMILES

CC1=C(CC2=CC=CC=C2)C(=O)OC3=C1C=CC(O)=C3

InChI

InChIKey=IDFOCEQDKOOOER-UHFFFAOYSA-N
InChI=1S/C17H14O3/c1-11-14-8-7-13(18)10-16(14)20-17(19)15(11)9-12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H14O3
Molecular Weight 266.2913
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 11:43:26 GMT 2023
Edited
by admin
on Sat Dec 16 11:43:26 GMT 2023
Record UNII
6UZY4BZ33H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-BENZYL-4-METHYLUMBELLIFERONE
Common Name English
2H-1-BENZOPYRAN-2-ONE, 7-HYDROXY-4-METHYL-3-(PHENYLMETHYL)-
Systematic Name English
3-BENZYL-4-METHYLUMBELLIFERON
Common Name English
2H-CHROMEN-2-ONE, 3-BENZYL-7-HYDROXY-4-METHYL-
Systematic Name English
3-BENZYL-7-HYDROXY-4-METHYLCOUMARIN
Systematic Name English
NSC-43673
Code English
7-HYDROXY-4-METHYL-3-(PHENYLMETHYL)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
5338538
Created by admin on Sat Dec 16 11:43:26 GMT 2023 , Edited by admin on Sat Dec 16 11:43:26 GMT 2023
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CAS
86-44-2
Created by admin on Sat Dec 16 11:43:26 GMT 2023 , Edited by admin on Sat Dec 16 11:43:26 GMT 2023
PRIMARY
FDA UNII
6UZY4BZ33H
Created by admin on Sat Dec 16 11:43:26 GMT 2023 , Edited by admin on Sat Dec 16 11:43:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID5075361
Created by admin on Sat Dec 16 11:43:26 GMT 2023 , Edited by admin on Sat Dec 16 11:43:26 GMT 2023
PRIMARY
NSC
43673
Created by admin on Sat Dec 16 11:43:26 GMT 2023 , Edited by admin on Sat Dec 16 11:43:26 GMT 2023
PRIMARY