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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-3,5-DIISOPROPYLBENZOIC ACID

SMILES

CC(C)C1=CC(=CC(C(C)C)=C1O)C(O)=O

InChI

InChIKey=WYAZPCLFZZTVSP-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2802
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 09:09:12 UTC 2023
Edited
by admin
on Sat Dec 16 09:09:12 UTC 2023
Record UNII
79DU6CB34N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXY-3,5-DIISOPROPYLBENZOIC ACID
Systematic Name English
4-HYDROXY-3,5-BIS(1-METHYLETHYL)BENZOIC ACID
Systematic Name English
PROPOFOL IMPURITY N [EP IMPURITY]
Common Name English
BENZOIC ACID, 4-HYDROXY-3,5-BIS(1-METHYLETHYL)-
Systematic Name English
Code System Code Type Description
CAS
13423-73-9
Created by admin on Sat Dec 16 09:09:12 UTC 2023 , Edited by admin on Sat Dec 16 09:09:12 UTC 2023
PRIMARY
PUBCHEM
25972
Created by admin on Sat Dec 16 09:09:12 UTC 2023 , Edited by admin on Sat Dec 16 09:09:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID30158604
Created by admin on Sat Dec 16 09:09:12 UTC 2023 , Edited by admin on Sat Dec 16 09:09:12 UTC 2023
PRIMARY
FDA UNII
79DU6CB34N
Created by admin on Sat Dec 16 09:09:12 UTC 2023 , Edited by admin on Sat Dec 16 09:09:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP