Propyl (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
Product Code
MM1221.09-0025
CAS Number
EP Description
Entacapone Impurity I
Product Format
Neat
Molecular Formula
C13 H12 N2 O6
Molecular Weight
292.24
API Family
EntacaponeProduct Categories
Product Type
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Documentation
Certificate of Analysis
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Product Information
Analyte Name
Propyl (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
CAS Number
1364322-42-8
Molecular Formula
C13 H12 N2 O6
Molecular Weight
292.24
Accurate Mass
292.0695
SMILES
CCCOC(=O)\C(=C\c1cc(O)c(O)c(c1)[N+](=O)[O-])\C#N
InChI
/h6-9,13H,5,10H2,1-4H3, InChI=1S/C14H21NO3.ClH/c1-5-18-14(16)13(10-15(2)3)11-6-8-12(17-4)9-7-11, 1H
IUPAC
propyl (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Product Type
Impurity
Product Format
Neat