SpiceCom: A database of phytochemicals in major spices

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BENZOIC-ACID-PROPYL-ESTER

PubChem ID
16846
Chemical Name
BENZOIC-ACID-PROPYL-ESTER
Molecular Formula
C10H12O2
Canonical SMILES
CCCOC(=O)C1=CC=CC=C1
IUPAC Name
propyl benzoate
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Molecular Weight
164.204 g/mol
XLogP
3
Rotatable Bond Count
4
Lipinsky's Rule of Five
Yes
Sources
Clove
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