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Home > Indoles and Oxindole > 39488-06-7
39488-06-7 | 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-
CAS No: 39488-06-7 Catalog No: AG007933 MDL No:
Product Description
Catalog Number:
AG007933
Chemical Name:
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-
CAS Number:
39488-06-7
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
4-(4-prop-2-ynoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C18H15NO3/c1-2-9-22-14-7-5-13(6-8-14)19-17(20)15-11-3-4-12(10-11)16(15)18(19)21/h1,3-8,11-12,15-16H,9-10H2
InChI Key:
AYWSRQACJRZHIY-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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