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886771-26-2 | 1-Piperazinecarboxylicacid, 3-(2-furanyl)-, 1,1-dimethylethyl ester
CAS No: 886771-26-2 Catalog No: AG00479S MDL No:MFCD06660449
Product Description
Catalog Number:
AG00479S
Chemical Name:
1-Piperazinecarboxylicacid, 3-(2-furanyl)-, 1,1-dimethylethyl ester
CAS Number:
886771-26-2
Molecular Formula:
C13H20N2O3
Molecular Weight:
252.3095
MDL Number:
MFCD06660449
IUPAC Name:
tert-butyl 3-(furan-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-7-6-14-10(9-15)11-5-4-8-17-11/h4-5,8,10,14H,6-7,9H2,1-3H3
InChI Key:
UOVFUSPKXGTOIX-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(C1)c1ccco1)OC(C)(C)C
Properties
Complexity:
301
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:
1
Isotope Atom Count:
0
Molecular Weight:
252.314g/mol
Monoisotopic Mass:
252.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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