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129137-67-3 | Isoquinoline, 1-ethenyl-1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS No: 129137-67-3 Catalog No: AG000YW7 MDL No:
Product Description
Catalog Number:
AG000YW7
Chemical Name:
Isoquinoline, 1-ethenyl-1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS Number:
129137-67-3
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
1-ethenyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C13H17NO2/c1-4-11-10-8-13(16-3)12(15-2)7-9(10)5-6-14-11/h4,7-8,11,14H,1,5-6H2,2-3H3
InChI Key:
GJVIEVDJTMRZDE-UHFFFAOYSA-N
SMILES:
C=CC1NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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