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76019-13-1 | 5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CAS No: 76019-13-1 Catalog No: AG00G831 MDL No:MFCD09035473
Product Description
Catalog Number:
AG00G831
Chemical Name:
5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CAS Number:
76019-13-1
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD09035473
IUPAC Name:
5,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C11H15NO2/c1-13-10-3-4-11(14-2)9-7-12-6-5-8(9)10/h3-4,12H,5-7H2,1-2H3
InChI Key:
XYFBJOKZCLYMEM-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1CNCC2)OC
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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