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67909-89-1 | 3H-Oxazolo[4,3-a]isoquinolin-3-one,5,6-dihydro-8,9-dimethoxy-1-phenyl-
CAS No: 67909-89-1 Catalog No: AG005OV4 MDL No:
Product Description
Catalog Number:
AG005OV4
Chemical Name:
3H-Oxazolo[4,3-a]isoquinolin-3-one,5,6-dihydro-8,9-dimethoxy-1-phenyl-
CAS Number:
67909-89-1
Molecular Formula:
C19H17NO4
Molecular Weight:
323.3426
IUPAC Name:
8,9-dimethoxy-1-phenyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
InChI:
InChI=1S/C19H17NO4/c1-22-15-10-13-8-9-20-17(14(13)11-16(15)23-2)18(24-19(20)21)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChI Key:
KJDAMPYKEGNASC-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCn1c2c(oc1=O)c1ccccc1
NSC Number:
146057
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.348g/mol
Monoisotopic Mass:
323.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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