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benzyl 2-methyl-3-oxopiperazine-1-carboxylate

benzyl 2-methyl-3-oxopiperazine-1-carboxylate

CAS: 234098-62-5

Formula: C13H16N2O3

SMILES: CC1N(CCNC1=O)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 2-methyl-3-oxopiperazine-1-carboxylate

InChI: InChI=1/C13H16N2O3/c1-10-12(16)14-7-8-15(10)13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,16)

Composition: C (62.89%), H (6.50%), N (11.28%), O (19.33%)

Molar Mass: 248.282

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 248.116092383
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QGOPZRYPDFSHOY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.82
Topological Polar Surface Area 58.64
Polarizability 25.62
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 234098-62-5 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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