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823234-53-3 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(phenylmethylene)-
CAS No: 823234-53-3 Catalog No: AG004YRF MDL No:
Product Description
Catalog Number:
AG004YRF
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(phenylmethylene)-
CAS Number:
823234-53-3
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
1-benzylidene-6,7-dimethoxy-3,4-dihydro-2H-isoquinoline
InChI:
InChI=1S/C18H19NO2/c1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13/h3-7,10-12,19H,8-9H2,1-2H3
InChI Key:
DNYIVJQAVUUPCZ-UHFFFAOYSA-N
SMILES:
COc1cc2C(=Cc3ccccc3)NCCc2cc1OC
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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