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Home > Indoles and Oxindole > 5680-61-5
5680-61-5 | Diethyl 2-(1,3-dioxoisoindolin-2-yl)malonate
CAS No: 5680-61-5 Catalog No: AG003TRP MDL No:MFCD00065025
Product Description
Catalog Number:
AG003TRP
Chemical Name:
Diethyl 2-(1,3-dioxoisoindolin-2-yl)malonate
CAS Number:
5680-61-5
Molecular Formula:
C15H15NO6
Molecular Weight:
305.2827
MDL Number:
MFCD00065025
IUPAC Name:
diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate
InChI:
InChI=1S/C15H15NO6/c1-3-21-14(19)11(15(20)22-4-2)16-12(17)9-7-5-6-8-10(9)13(16)18/h5-8,11H,3-4H2,1-2H3
InChI Key:
SZNGBHWKVWEBKW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(N1C(=O)c2c(C1=O)cccc2)C(=O)OCC
EC Number:
227-138-6
UNII:
OG2E8O4WBR
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.286g/mol
Monoisotopic Mass:
305.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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