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(S)-3'-Hydroxycoclaurine Hydrochloride

CAS No.:
138666-04-3
Catalog Number:
AG009EXK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009EXK
Chemical Name:
(S)-3'-Hydroxycoclaurine Hydrochloride
CAS Number:
138666-04-3
MDL Number:
MFCD31562823
IUPAC Name:
4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]benzene-1,2-diol;hydrochloride
InChI:
InChI=1S/C17H19NO4.ClH/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10;/h2-3,7-9,13,18-21H,4-6H2,1H3;1H/t13-;/m0./s1
InChI Key:
OKCJQWKOEORQET-ZOWNYOTGSA-N
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
337.108g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
337.8g/mol
Monoisotopic Mass:
337.108g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties