Registration Dossier

General information

Inventory

EC number:
204-498-2
EC name:
Propyl 3,4,5-trihydroxybenzoate
CAS number:
121-79-9

No inventory information available

Reference substance information

IUPAC name:
propyl 3,4,5-trihydroxybenzoate
Synonyms
Names:
Benzoic acid, 3,4,5-trihydroxy-, propyl ester
Identifier:
other: SMILES notation
CCCOC(=O)C1=CC(O)=C(O)C(O)=C1
Identifier:
other: InChl
InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
propyl 3,4,5-trihydroxybenzoate

CAS information

CAS number:
121-79-9

Molecular and structural information

Molecular formula:
C10H12O5
Molecular weight:
212.199
SMILES notation:
CCCOC(=O)c1cc(O)c(O)c(O)c1
InChl:
InChI=1/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
Structural formula:
Chemical structure