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75877-72-4 | Isoquinoline,3,4-dihydro-7,8-dimethoxy-
CAS No: 75877-72-4 Catalog No: AG008P4W MDL No:MFCD06249030
Product Description
Catalog Number:
AG008P4W
Chemical Name:
Isoquinoline,3,4-dihydro-7,8-dimethoxy-
CAS Number:
75877-72-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD06249030
IUPAC Name:
7,8-dimethoxy-3,4-dihydroisoquinoline
InChI:
InChI=1S/C11H13NO2/c1-13-10-4-3-8-5-6-12-7-9(8)11(10)14-2/h3-4,7H,5-6H2,1-2H3
InChI Key:
FWFCAKKLGOGABS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC)C=NCC2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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