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94272-88-5 | Isoquinoline, 1,2,3,4-tetrahydro-5,7,8-trimethoxy-, hydrochloride
CAS No: 94272-88-5 Catalog No: AG005ZKO MDL No:
Product Description
Catalog Number:
AG005ZKO
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-5,7,8-trimethoxy-, hydrochloride
CAS Number:
94272-88-5
Molecular Formula:
C12H18ClNO3
Molecular Weight:
259.7292
IUPAC Name:
5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C12H17NO3.ClH/c1-14-10-6-11(15-2)12(16-3)9-7-13-5-4-8(9)10;/h6,13H,4-5,7H2,1-3H3;1H
InChI Key:
XMFMPOATXRGZGY-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c2c1CNCC2)OC.Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.73g/mol
Monoisotopic Mass:
259.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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