Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Heptyl Paraben 1085-12-7 14138
Structure Other Information
Canonical SMILES CCCCCCCOC(=O)C1=CC=C(C=C1)O
Iso SMILES CCCCCCCOC(=O)C1=CC=C(C=C1)O
InChI InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3
InChI Key ZTJORNVITHUQJA-UHFFFAOYSA-N
Formula C14H20O3
Mol Weight 236.307
XlogP3 4.8
Charge 0

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Synonyms Information
CAS Name 4-hydroxybenzoic acid heptyl ester
IUPAC Name heptyl 4-hydroxybenzoate
Openeye Name heptyl 4-hydroxybenzoate
Systematic Name heptyl 4-oxidanylbenzoate
Tratitional Name heptyl 4-oxidanylbenzoate