PARASORBIC ACID

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Keyword(s): Natural Toxins
Molecule Category Free-form
UNII DCN48OUK3T
EPA CompTox DTXSID10893607

Structure

InChI Key DYNKRGCMLGUEMN-MLHKIVSYNA-N
Smiles C[C@H]1CC=CC(=O)O1
InChI
InChI=1/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3/t5-/s2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O2
Molecular Weight 112.05
AlogP 0.88
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 10048-32-5
NORMAN SUSDAT
FDA SRS DCN48OUK3T
PubChem 441575
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