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78317-83-6 | Isoquinoline, 1,2,3,4-tetrahydro-2-(4-methoxyphenyl)-
CAS No: 78317-83-6 Catalog No: AG008N08 MDL No:
Product Description
Catalog Number:
AG008N08
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(4-methoxyphenyl)-
CAS Number:
78317-83-6
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C16H17NO/c1-18-16-8-6-15(7-9-16)17-11-10-13-4-2-3-5-14(13)12-17/h2-9H,10-12H2,1H3
InChI Key:
GNVXOIRECQQWBJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCc2c(C1)cccc2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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