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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12O4
Molecular Weight 268.2641
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DIHYDROXY-3-(PHENYLMETHYL)-2H-CHROMEN-2-ONE

SMILES

OC1=CC=CC2=C1C(O)=C(CC3=CC=CC=C3)C(=O)O2

InChI

InChIKey=SLSNVVVTKCREAW-UHFFFAOYSA-N
InChI=1S/C16H12O4/c17-12-7-4-8-13-14(12)15(18)11(16(19)20-13)9-10-5-2-1-3-6-10/h1-8,17-18H,9H2

HIDE SMILES / InChI

Molecular Formula C16H12O4
Molecular Weight 268.2641
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 Tue Apr 01 20:12:44 GMT 2025
Edited
by admin
on Tue Apr 01 20:12:44 GMT 2025
Record UNII
6U3KPQ9ODC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-DIHYDROXY-3-(PHENYLMETHYL)-2H-CHROMEN-2-ONE
Systematic Name English
NSC-251156
Preferred Name English
4,5-DIHYDROXY-3-(PHENYLMETHYL)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
COUMARIN, 3-BENZYL-4,5-DIHYDROXY-
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 4,5-DIHYDROXY-3-(PHENYLMETHYL)-
Systematic Name English
3-BENZYL-4,5-DIHYDROXYCOUMARIN
Systematic Name English
Code System Code Type Description
PUBCHEM
54686605
Created by admin on Tue Apr 01 20:12:44 GMT 2025 , Edited by admin on Tue Apr 01 20:12:44 GMT 2025
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FDA UNII
6U3KPQ9ODC
Created by admin on Tue Apr 01 20:12:44 GMT 2025 , Edited by admin on Tue Apr 01 20:12:44 GMT 2025
PRIMARY
CAS
1795-39-7
Created by admin on Tue Apr 01 20:12:44 GMT 2025 , Edited by admin on Tue Apr 01 20:12:44 GMT 2025
PRIMARY
NSC
251156
Created by admin on Tue Apr 01 20:12:44 GMT 2025 , Edited by admin on Tue Apr 01 20:12:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID30170821
Created by admin on Tue Apr 01 20:12:44 GMT 2025 , Edited by admin on Tue Apr 01 20:12:44 GMT 2025
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