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Home > Indoles and Oxindole > 39685-81-9
39685-81-9 | 1H-Isoindole-1,3(2H)-dione,2-(2-furanylmethoxy)-
CAS No: 39685-81-9 Catalog No: AG00I7SQ MDL No:MFCD09032931
Product Description
Catalog Number:
AG00I7SQ
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-(2-furanylmethoxy)-
CAS Number:
39685-81-9
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD09032931
IUPAC Name:
2-(furan-2-ylmethoxy)isoindole-1,3-dione
InChI:
InChI=1S/C13H9NO4/c15-12-10-5-1-2-6-11(10)13(16)14(12)18-8-9-4-3-7-17-9/h1-7H,8H2
InChI Key:
ROUSXZGKXRFOBH-UHFFFAOYSA-N
SMILES:
O=C1N(OCc2ccco2)C(=O)c2c1cccc2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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