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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, 2-BUTYL-3-HYDROXY-

SMILES

CCCCC1=C(O)C(=O)C=CO1

InChI

InChIKey=PLIHKNUTGDTARM-UHFFFAOYSA-N
InChI=1S/C9H12O3/c1-2-3-4-8-9(11)7(10)5-6-12-8/h5-6,11H,2-4H2,1H3

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

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:02:52 GMT 2025
Edited
by admin
on Mon Mar 31 19:02:52 GMT 2025
Record UNII
X75H31385A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4H-PYRAN-4-ONE, 2-BUTYL-3-HYDROXY-
Preferred Name English
Code System Code Type Description
FDA UNII
X75H31385A
Created by admin on Mon Mar 31 19:02:52 GMT 2025 , Edited by admin on Mon Mar 31 19:02:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID20197789
Created by admin on Mon Mar 31 19:02:52 GMT 2025 , Edited by admin on Mon Mar 31 19:02:52 GMT 2025
PRIMARY
CAS
4940-17-4
Created by admin on Mon Mar 31 19:02:52 GMT 2025 , Edited by admin on Mon Mar 31 19:02:52 GMT 2025
PRIMARY
PUBCHEM
3014330
Created by admin on Mon Mar 31 19:02:52 GMT 2025 , Edited by admin on Mon Mar 31 19:02:52 GMT 2025
PRIMARY