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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12O3
Molecular Weight 168.1898
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4H-PYRAN-4-ONE, 3-HYDROXY-2-ISOBUTYL-

SMILES

CC(C)CC1=C(O)C(=O)C=CO1

InChI

InChIKey=BYAVMBAAZQAOHB-UHFFFAOYSA-N
InChI=1S/C9H12O3/c1-6(2)5-8-9(11)7(10)3-4-12-8/h3-4,6,11H,5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H12O3
Molecular Weight 168.1898
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 Fri Dec 15 19:36:03 GMT 2023
Edited
by admin
on Fri Dec 15 19:36:03 GMT 2023
Record UNII
GJ3PPC6VUN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4H-PYRAN-4-ONE, 3-HYDROXY-2-ISOBUTYL-
Systematic Name English
4H-PYRAN-4-ONE, 3-HYDROXY-2-(2-METHYLPROPYL)-
Systematic Name English
3-HYDROXY-2-(2-METHYLPROPYL)PYRAN-4-ONE
Systematic Name English
3-HYDROXY-2-(2-METHYLPROPYL)-4H-PYRAN-4-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
GJ3PPC6VUN
Created by admin on Fri Dec 15 19:36:03 GMT 2023 , Edited by admin on Fri Dec 15 19:36:03 GMT 2023
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EPA CompTox
DTXSID00226925
Created by admin on Fri Dec 15 19:36:03 GMT 2023 , Edited by admin on Fri Dec 15 19:36:03 GMT 2023
PRIMARY
CAS
76015-10-6
Created by admin on Fri Dec 15 19:36:03 GMT 2023 , Edited by admin on Fri Dec 15 19:36:03 GMT 2023
PRIMARY
PUBCHEM
156380
Created by admin on Fri Dec 15 19:36:03 GMT 2023 , Edited by admin on Fri Dec 15 19:36:03 GMT 2023
PRIMARY