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51054-41-2 | 1-CYANOMETHYLENE-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 51054-41-2 Catalog No: AG006TZW MDL No:
Product Description
Catalog Number:
AG006TZW
Chemical Name:
1-CYANOMETHYLENE-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
51054-41-2
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile
InChI:
InChI=1S/C13H14N2O2/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2/h3,7-8,15H,4,6H2,1-2H3
InChI Key:
KHZAKBHKVKPSDN-UHFFFAOYSA-N
SMILES:
N#CC=C1NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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