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Home > Indoles and Oxindole > 64442-12-2
64442-12-2 | Diethyl 2-Acetamido-2-(4-(1,3-Dioxoisoindolin-2-Yl)-3-Hydroxybutyl)Malonate
CAS No: 64442-12-2 Catalog No: AG019EXV MDL No:MFCD28991818
Product Description
Catalog Number:
AG019EXV
Chemical Name:
Diethyl 2-Acetamido-2-(4-(1,3-Dioxoisoindolin-2-Yl)-3-Hydroxybutyl)Malonate
CAS Number:
64442-12-2
Molecular Formula:
C21H26N2O8
Molecular Weight:
434.4397
MDL Number:
MFCD28991818
IUPAC Name:
diethyl 2-acetamido-2-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxybutyl]propanedioate
InChI:
InChI=1S/C21H26N2O8/c1-4-30-19(28)21(22-13(3)24,20(29)31-5-2)11-10-14(25)12-23-17(26)15-8-6-7-9-16(15)18(23)27/h6-9,14,25H,4-5,10-12H2,1-3H3,(H,22,24)
InChI Key:
AENMYGQAOXAGCB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(NC(=O)C)CCC(CN1C(=O)c2c(C1=O)cccc2)O
Properties
Complexity:
680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.169g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
434.445g/mol
Monoisotopic Mass:
434.169g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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