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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O4
Molecular Weight 180.1574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYLISOPHTHALIC ACID

SMILES

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

InChI

InChIKey=PMZBHPUNQNKBOA-UHFFFAOYSA-N
InChI=1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C9H8O4
Molecular Weight 180.1574
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
L828A4V3R6
Record Status Validated (UNII)
Record Version