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3184-36-9 | 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
CAS No: 3184-36-9 Catalog No: AG00CUHV MDL No:
Product Description
Catalog Number:
AG00CUHV
Chemical Name:
1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
CAS Number:
3184-36-9
IUPAC Name:
1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;chloride
InChI:
InChI=1S/C16H17NO4.ClH/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12;/h1-2,6-8,12,17-21H,3-5H2;1H
InChI Key:
WSIHAFYVFLJCQH-UHFFFAOYSA-N
EC Number:
221-680-7
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.092g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
323.773g/mol
Monoisotopic Mass:
323.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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