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tert-butyl 3,5-dioxopiperazine-1-carboxylate

tert-butyl 3,5-dioxopiperazine-1-carboxylate

CAS: 501127-89-5

Formula: C9H14N2O4

SMILES: CC(C)(C)OC(=O)N1CC(=O)NC(=O)C1

IUPAC: tert-butyl 3,5-dioxopiperazine-1-carboxylate

InChI: InChI=1S/C9H14N2O4/c1-9(2,3)15-8(14)11-4-6(12)10-7(13)5-11/h4-5H2,1-3H3,(H,10,12,13)

Composition: C (50.46%), H (6.59%), N (13.08%), O (29.87%)

Molar Mass: 214.221

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 214.095356939
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RUVRAIGXERUAHV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.6
Topological Polar Surface Area 75.71
Polarizability 19.91
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 501127-89-5 $150.06-$283.73$150.06$283.73
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