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benzyl N-[(4-oxocyclohexyl)methyl]carbamate

benzyl N-[(4-oxocyclohexyl)methyl]carbamate

CAS: 869895-17-0

Formula: C15H19NO3

SMILES: O=C(NCC1CCC(=O)CC1)OCC1=CC=CC=C1

IUPAC: benzyl N-[(4-oxocyclohexyl)methyl]carbamate

InChI: InChI=1S/C15H19NO3/c17-14-8-6-12(7-9-14)10-16-15(18)19-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,16,18)

Composition: C (68.94%), H (7.33%), N (5.36%), O (18.37%)

Molar Mass: 261.321

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 261.136493476
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KBXVCSAZKWKBLJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.99
Topological Polar Surface Area 55.4
Polarizability 28.15
Ring Count 2
Rotatable Bond Count 5

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