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Home > Indoles and Oxindole > 2453-90-9
2453-90-9 | 1H-Isoindole-1,3(2H)-dione, 2-(3,3-diethoxypropyl)-
CAS No: 2453-90-9 Catalog No: AG002OGF MDL No:
Product Description
Catalog Number:
AG002OGF
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3,3-diethoxypropyl)-
CAS Number:
2453-90-9
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
2-(3,3-diethoxypropyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H19NO4/c1-3-19-13(20-4-2)9-10-16-14(17)11-7-5-6-8-12(11)15(16)18/h5-8,13H,3-4,9-10H2,1-2H3
InChI Key:
RVXQZFFRHOTZKR-UHFFFAOYSA-N
SMILES:
CCOC(OCC)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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