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59709-57-8 | 1-Methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide
CAS No: 59709-57-8 Catalog No: AG003EGW MDL No:MFCD00012741
Product Description
Catalog Number:
AG003EGW
Chemical Name:
1-Methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide
CAS Number:
59709-57-8
Molecular Formula:
C10H14BrNO2
Molecular Weight:
260.1277
MDL Number:
MFCD00012741
IUPAC Name:
1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
InChI:
InChI=1S/C10H13NO2.BrH/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h4-6,11-13H,2-3H2,1H3;1H
InChI Key:
OGMGXKJQIOUTTB-UHFFFAOYSA-N
SMILES:
CC1NCCc2c1cc(O)c(c2)O.Br
NSC Number:
123403
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
260.131g/mol
Monoisotopic Mass:
259.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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