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66393-01-9 | 7-Hydroxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride
CAS No: 66393-01-9 Catalog No: AG00FGEF MDL No:MFCD01444793
Product Description
Catalog Number:
AG00FGEF
Chemical Name:
7-Hydroxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride
CAS Number:
66393-01-9
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
MDL Number:
MFCD01444793
IUPAC Name:
1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride
InChI:
InChI=1S/C9H11NO.ClH/c11-9-2-1-7-3-4-10-6-8(7)5-9;/h1-2,5,10-11H,3-4,6H2;1H
InChI Key:
ZVQYIOOMWIVFQP-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CNCC2.Cl
NSC Number:
112976
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.651g/mol
Monoisotopic Mass:
185.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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