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887592-68-9 | tert-Butyl 2-(2-cyanoacetyl)piperidine-1-carboxylate
CAS No: 887592-68-9 Catalog No: AG004BBS MDL No:
Product Description
Catalog Number:
AG004BBS
Chemical Name:
tert-Butyl 2-(2-cyanoacetyl)piperidine-1-carboxylate
CAS Number:
887592-68-9
Molecular Formula:
C13H20N2O3
Molecular Weight:
252.3095
IUPAC Name:
tert-butyl 2-(2-cyanoacetyl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-9-5-4-6-10(15)11(16)7-8-14/h10H,4-7,9H2,1-3H3
InChI Key:
AFOBTHPZYTZXOH-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1CCCCN1C(=O)OC(C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.314g/mol
Monoisotopic Mass:
252.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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