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889958-14-9 | tert-Butyl 2-oxopiperazine-1-carboxylate
CAS No: 889958-14-9 Catalog No: AG003E10 MDL No:MFCD06797597
Product Description
Catalog Number:
AG003E10
Chemical Name:
tert-Butyl 2-oxopiperazine-1-carboxylate
CAS Number:
889958-14-9
Molecular Formula:
C9H16N2O3
Molecular Weight:
200.2349
MDL Number:
MFCD06797597
IUPAC Name:
tert-butyl 2-oxopiperazine-1-carboxylate
InChI:
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-6-7(11)12/h10H,4-6H2,1-3H3
InChI Key:
SORUSJZOKKMNQS-UHFFFAOYSA-N
SMILES:
O=C1CNCCN1C(=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:
4
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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