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6,7-Dimethoxy-1,2,3,4-Tetrahydro-1-Isoquinoline Acetic Acid Monohydrate
[CAS# 303094-23-7]

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Identification
Name 6,7-Dimethoxy-1,2,3,4-Tetrahydro-1-Isoquinoline Acetic Acid Monohydrate
Synonyms 2-[(1S)-6,7-Dimethoxy-3,4-Dihydro-1H-Isoquinolin-2-Ium-1-Yl]Ethanoate; Zinc02100942
Molecular Structure CAS#: 303094-23-7, 6,7-Dimethoxy-1,2,3,4-Tetrahydro-1-Isoquinoline Acetic Acid Monohydrate
Molecular Formula C13H17NO4
Molecular Weight 251.28
CAS Registry Number 303094-23-7
SMILES [C@H]1([NH2+]CCC2=CC(=C(OC)C=C12)OC)CC([O-])=O
InChI 1S/C13H17NO4/c1-17-11-5-8-3-4-14-10(7-13(15)16)9(8)6-12(11)18-2/h5-6,10,14H,3-4,7H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKey UEXHGUMUCVTSNK-JTQLQIEISA-N
Properties
Density 1.182g/cm3 (Cal.)
Boiling point 441.466°C at 760 mmHg (Cal.)
Flash point 220.791°C (Cal.)
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