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108772-78-7 | Isoquinoline, 1,2,3,4-tetrahydro-4-(3-methoxyphenyl)-
CAS No: 108772-78-7 Catalog No: AG007BY7 MDL No:
Product Description
Catalog Number:
AG007BY7
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-4-(3-methoxyphenyl)-
CAS Number:
108772-78-7
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
4-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C16H17NO/c1-18-14-7-4-6-12(9-14)16-11-17-10-13-5-2-3-8-15(13)16/h2-9,16-17H,10-11H2,1H3
InChI Key:
DUYQUQQGXLNRNP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1CNCc2c1cccc2
Properties
Complexity:
268
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:
1
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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