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76003-29-7 | 1-Boc-3-Oxopiperazine
CAS No: 76003-29-7 Catalog No: AG003E1C MDL No:MFCD02181069
Product Description
Catalog Number:
AG003E1C
Chemical Name:
1-Boc-3-Oxopiperazine
CAS Number:
76003-29-7
Molecular Formula:
C9H16N2O3
Molecular Weight:
200.2349
MDL Number:
MFCD02181069
IUPAC Name:
tert-butyl 3-oxopiperazine-1-carboxylate
InChI:
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12)
InChI Key:
FCMLWBBLOASUSO-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.238g/mol
Monoisotopic Mass:
200.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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