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918665-57-3 | Isoquinoline, 3,4,6,7-tetrahydro-6,7-dimethoxy-1-methyl-
CAS No: 918665-57-3 Catalog No: AG006C0Z MDL No:
Product Description
Catalog Number:
AG006C0Z
Chemical Name:
Isoquinoline, 3,4,6,7-tetrahydro-6,7-dimethoxy-1-methyl-
CAS Number:
918665-57-3
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
6,7-dimethoxy-1-methyl-3,4,6,7-tetrahydroisoquinoline
InChI:
InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7,11-12H,4-5H2,1-3H3
InChI Key:
ORRBUCKKICIARQ-UHFFFAOYSA-N
SMILES:
COC1C=C2C(=CC1OC)CCN=C2C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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