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56771-98-3 | (4S)-2-Acetyl-1,2,3,4-tetrahydro-4-(4-hydroxyphenyl)-6-methoxy-7-isoquinolinol
CAS No: 56771-98-3 Catalog No: AG00F0NF MDL No:
Product Description
Catalog Number:
AG00F0NF
Chemical Name:
(4S)-2-Acetyl-1,2,3,4-tetrahydro-4-(4-hydroxyphenyl)-6-methoxy-7-isoquinolinol
CAS Number:
56771-98-3
IUPAC Name:
1-[(4S)-7-hydroxy-4-(4-hydroxyphenyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
InChI:
InChI=1S/C18H19NO4/c1-11(20)19-9-13-7-17(22)18(23-2)8-15(13)16(10-19)12-3-5-14(21)6-4-12/h3-8,16,21-22H,9-10H2,1-2H3/t16-/m0/s1
InChI Key:
HOAUJNMVENDNNG-INIZCTEOSA-N
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
313.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.353g/mol
Monoisotopic Mass:
313.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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