METHYL SALICYLATE

Search structure
Synonyms:
Status: Approved (2008)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LAV5U5022Y

Structure
InChI Key OSWPMRLSEDHDFF-UHFFFAOYSA-N
Smile COC(=O)c1ccccc1O
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8O3
Molecular Weight 152.15
AlogP 1.18
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 11.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 31832
ChEMBL CHEMBL108545
DrugBank DB09543
DrugCentral 4245
EPA CompTox DTXSID5025659
FDA SRS LAV5U5022Y
Human Metabolome Database HMDB0034172
Guide to Pharmacology 2431
KEGG C12305
PubChem 4133
SureChEMBL SCHEMBL5312
ZINC ZINC000000000490
CONTENTS