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876147-52-3 | tert-Butyl 2-((1,3-dioxoisoindolin-2-yl)methyl)morpholine-4-carboxylate
CAS No: 876147-52-3 Catalog No: AG004P5K MDL No:MFCD14635715
Product Description
Catalog Number:
AG004P5K
Chemical Name:
tert-Butyl 2-((1,3-dioxoisoindolin-2-yl)methyl)morpholine-4-carboxylate
CAS Number:
876147-52-3
Molecular Formula:
C18H22N2O5
Molecular Weight:
346.3777
MDL Number:
MFCD14635715
IUPAC Name:
tert-butyl 2-[(1,3-dioxoisoindol-2-yl)methyl]morpholine-4-carboxylate
InChI:
InChI=1S/C18H22N2O5/c1-18(2,3)25-17(23)19-8-9-24-12(10-19)11-20-15(21)13-6-4-5-7-14(13)16(20)22/h4-7,12H,8-11H2,1-3H3
InChI Key:
YGEBKFZXBQXUAK-UHFFFAOYSA-N
SMILES:
O=C(N1CCOC(C1)CN1C(=O)c2c(C1=O)cccc2)OC(C)(C)C
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.383g/mol
Monoisotopic Mass:
346.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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