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Specification
The molecular weight of 6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline is 221.29 g/mol.
The IUPAC name of 6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline is 6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline.
The InChI of 6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline is InChI=1S/C13H19NO2/c1-3-15-12-7-10-5-6-14-9-11(10)8-13(12)16-4-2/h7-8,14H,3-6,9H2,1-2H3.
The InChIKey of 6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline is SFFCFYBFMSQXRO-UHFFFAOYSA-N.
The canonical SMILES of 6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline is CCOC1=C(C=C2CNCCC2=C1)OCC.
The XLogP3-AA value of 6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline is 2.
6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline has 1 hydrogen bond donor count.
6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline has 3 hydrogen bond acceptor counts.
6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline has 4 rotatable bond counts.
6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline has 16 heavy atoms.