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59224-74-7 | 1-(4'-METHOXY)PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS No: 59224-74-7 Catalog No: AG00EFW6 MDL No:MFCD02179251
Product Description
Catalog Number:
AG00EFW6
Chemical Name:
1-(4'-METHOXY)PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS Number:
59224-74-7
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
MDL Number:
MFCD02179251
IUPAC Name:
1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C16H17NO/c1-18-14-8-6-13(7-9-14)16-15-5-3-2-4-12(15)10-11-17-16/h2-9,16-17H,10-11H2,1H3
InChI Key:
FSFZUYODRIULLG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1NCCc2c1cccc2
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:
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:
3
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