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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O2
Molecular Weight 192.2542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-HYDROXY-4-METHYLPHENYL)-1-PENTANONE

SMILES

CCCCC(=O)C1=C(O)C=C(C)C=C1

InChI

InChIKey=YPKVRMSJESHSBN-UHFFFAOYSA-N
InChI=1S/C12H16O2/c1-3-4-5-11(13)10-7-6-9(2)8-12(10)14/h6-8,14H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H16O2
Molecular Weight 192.2542
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 15:21:35 GMT 2023
Edited
by admin
on Sat Dec 16 15:21:35 GMT 2023
Record UNII
R8Z3BW3BUG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-HYDROXY-4-METHYLPHENYL)-1-PENTANONE
Systematic Name English
AMYLMETACRESOL IMPURITY E [EP IMPURITY]
Common Name English
VALERYL M-CRESOL
Common Name English
1-PENTANONE, 1-(2-HYDROXY-4-METHYLPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
173851-66-6
Created by admin on Sat Dec 16 15:21:35 GMT 2023 , Edited by admin on Sat Dec 16 15:21:35 GMT 2023
PRIMARY
FDA UNII
R8Z3BW3BUG
Created by admin on Sat Dec 16 15:21:35 GMT 2023 , Edited by admin on Sat Dec 16 15:21:35 GMT 2023
PRIMARY
PUBCHEM
118552
Created by admin on Sat Dec 16 15:21:35 GMT 2023 , Edited by admin on Sat Dec 16 15:21:35 GMT 2023
PRIMARY
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