1,2-DIHYDROPHTHALIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80945602

Structure

InChI Key OYUWHGGWLCJJNP-UHFFFAOYSA-N
Smiles O=C(O)C1C=CC=CC1C(=O)O
InChI
InChI=1/C8H8O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-6H,(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8O4
Molecular Weight 168.04
AlogP 0.51
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 22919-28-4
NORMAN SUSDAT
PubChem 89904
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