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Details

Stereochemistry ACHIRAL
Molecular Formula C15H16N2O3
Molecular Weight 272.2991
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4,5-DIHYDRO-5,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-3-YL)-3-HYDROXY-2(5H)-FURANONE

SMILES

CC1(C)CC(=NN1C2=CC=CC=C2)C3=C(O)C(=O)OC3

InChI

InChIKey=CQXWGOZWPQEQBX-UHFFFAOYSA-N
InChI=1S/C15H16N2O3/c1-15(2)8-12(11-9-20-14(19)13(11)18)16-17(15)10-6-4-3-5-7-10/h3-7,18H,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C15H16N2O3
Molecular Weight 272.2991
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 20:02:54 GMT 2025
Edited
by admin
on Tue Apr 01 20:02:54 GMT 2025
Record UNII
68K45BXI74
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-295269
Preferred Name English
4-(4,5-DIHYDRO-5,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-3-YL)-3-HYDROXY-2(5H)-FURANONE
Systematic Name English
2(5H)-FURANONE, 4-(4,5-DIHYDRO-5,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-3-YL)-3-HYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
68K45BXI74
Created by admin on Tue Apr 01 20:02:54 GMT 2025 , Edited by admin on Tue Apr 01 20:02:54 GMT 2025
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NSC
295269
Created by admin on Tue Apr 01 20:02:54 GMT 2025 , Edited by admin on Tue Apr 01 20:02:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID60964674
Created by admin on Tue Apr 01 20:02:54 GMT 2025 , Edited by admin on Tue Apr 01 20:02:54 GMT 2025
PRIMARY
CAS
50413-16-6
Created by admin on Tue Apr 01 20:02:54 GMT 2025 , Edited by admin on Tue Apr 01 20:02:54 GMT 2025
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