6-Hydroxy-6-oxohexanoate;1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol

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Catalog Number
ACM93203033
Product Name
6-Hydroxy-6-oxohexanoate;1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol
CAS
93203-03-3
Category
Heterocyclic Organic Compound
IUPAC Name
6-hydroxy-6-oxohexanoate; 1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol
Molecular Weight
403.426 g/mol
Molecular Formula
C21H25NO7
Canonical SMILES
C1C(C2=C(C=CC(=C2)O)C([NH2+]1)C3=CC=C(C=C3)O)O.C(CCC(=O)[O-])CC(=O)O
InChI Key
CPNCKFLCWPDSLK-UHFFFAOYSA-N
Boiling Point
527.5ºC at 760mmHg
Flash Point
228.4ºC
Exact Mass
403.16300
H-Bond Acceptor
7
H-Bond Donor
5
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