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212195-65-8 | 2-Propanone, 1-(3,4-dihydro-6,7-dimethoxy-1(2H)-isoquinolinylidene)-
CAS No: 212195-65-8 Catalog No: AG007OO4 MDL No:
Product Description
Catalog Number:
AG007OO4
Chemical Name:
2-Propanone, 1-(3,4-dihydro-6,7-dimethoxy-1(2H)-isoquinolinylidene)-
CAS Number:
212195-65-8
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)propan-2-one
InChI:
InChI=1S/C14H17NO3/c1-9(16)6-12-11-8-14(18-3)13(17-2)7-10(11)4-5-15-12/h6-8,15H,4-5H2,1-3H3
InChI Key:
GMMLSZNOQRWPPX-UHFFFAOYSA-N
SMILES:
COc1cc2C(=CC(=O)C)NCCc2cc1OC
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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