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Details

Stereochemistry RACEMIC
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-ISOBUTYLPHENYL)-2-HYDROXYPROPIONIC ACID

SMILES

CC(C)CC1=CC=C(C=C1)C(C)(O)C(O)=O

InChI

InChIKey=APEODKDQAWQDLW-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-9(2)8-10-4-6-11(7-5-10)13(3,16)12(14)15/h4-7,9,16H,8H2,1-3H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2802
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
72Z1R0AQ22
Record Status Validated (UNII)
Record Version