6-CINNAMOYL-M-TOLUIC ACID

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key NNMSOQACCTUWMJ-CSKARUKUSA-N
Smiles O=C(O)C1=CC(=CC=C1C(=O)C=CC=2C=CC=CC2)C
InChI
InChI=1/C17H14O3/c1-12-7-9-14(15(11-12)17(19)20)16(18)10-8-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H14O3
Molecular Weight 266.09
AlogP 3.59
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 54.37
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 77375-50-9
NORMAN SUSDAT
PubChem 6365770
CONTENTS