TERPIN HYDRATE

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Synonyms
Status
Molecule Category Mixture
UNII S3V868548T

Structure

InChI Key JGKJMBOJWVAMIJ-UHFFFAOYSA-N
Smiles CC1(O)CCC(C(C)(C)O)CC1.O
InChI
InChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22O3
Molecular Weight 190.28
AlogP 1.7
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Cross References

Resources Reference
ChEMBL CHEMBL2105614
FDA SRS S3V868548T
SureChEMBL SCHEMBL2487459
CONTENTS