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887594-13-0 | tert-Butyl 3-(2-cyanoacetyl)azetidine-1-carboxylate
CAS No: 887594-13-0 Catalog No: AG004BIL MDL No:MFCD06656778
Product Description
Catalog Number:
AG004BIL
Chemical Name:
tert-Butyl 3-(2-cyanoacetyl)azetidine-1-carboxylate
CAS Number:
887594-13-0
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
MDL Number:
MFCD06656778
IUPAC Name:
tert-butyl 3-(2-cyanoacetyl)azetidine-1-carboxylate
InChI:
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-6-8(7-13)9(14)4-5-12/h8H,4,6-7H2,1-3H3
InChI Key:
MWQMPWWBTIXHQH-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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