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1257293-88-1 | 1-Piperazinecarboxylic acid, 4-(3-oxetanyl)-, 1,1-dimethylethyl ester
CAS No: 1257293-88-1 Catalog No: AG000OK6 MDL No:MFCD22123277
Product Description
Catalog Number:
AG000OK6
Chemical Name:
1-Piperazinecarboxylic acid, 4-(3-oxetanyl)-, 1,1-dimethylethyl ester
CAS Number:
1257293-88-1
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
MDL Number:
MFCD22123277
IUPAC Name:
tert-butyl 4-(oxetan-3-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-4-13(5-7-14)10-8-16-9-10/h10H,4-9H2,1-3H3
InChI Key:
BZORURUBWYXNAX-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C1COC1)OC(C)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.319g/mol
Monoisotopic Mass:
242.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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