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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6O4
Molecular Weight 166.1308
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPHTHALIC ACID

SMILES

OC(=O)C1=CC(=CC=C1)C(O)=O

InChI

InChIKey=QQVIHTHCMHWDBS-UHFFFAOYSA-N
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C8H6O4
Molecular Weight 166.1308
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

PubMed

Substance Class Chemical
Record UNII
X35216H9FJ
Record Status Validated (UNII)
Record Version