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56847-08-6 | (S)-1,2,3,4-Tetrahydro-4-(4-hydroxyphenyl)-6-methoxy-7-isoquinolinol
CAS No: 56847-08-6 Catalog No: AG00F0KY MDL No:
Product Description
Catalog Number:
AG00F0KY
Chemical Name:
(S)-1,2,3,4-Tetrahydro-4-(4-hydroxyphenyl)-6-methoxy-7-isoquinolinol
CAS Number:
56847-08-6
IUPAC Name:
(4S)-4-(4-hydroxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
InChI:
InChI=1S/C16H17NO3/c1-20-16-7-13-11(6-15(16)19)8-17-9-14(13)10-2-4-12(18)5-3-10/h2-7,14,17-19H,8-9H2,1H3/t14-/m0/s1
InChI Key:
KOFAOVFUAHETBH-AWEZNQCLSA-N
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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