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benzyl N-(5-oxooxan-3-yl)carbamate

benzyl N-(5-oxooxan-3-yl)carbamate

CAS: 884306-77-8

Formula: C13H15NO4

SMILES: O=C(NC1COCC(=O)C1)OCC1=CC=CC=C1

IUPAC: benzyl N-(5-oxooxan-3-yl)carbamate

InChI: InChI=1/C13H15NO4/c15-12-6-11(8-17-9-12)14-13(16)18-7-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16)

Composition: C (62.64%), H (6.07%), N (5.62%), O (25.67%)

Molar Mass: 249.266

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 249.100107967
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IJVLKKPUPGVGAM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.09
Topological Polar Surface Area 64.63
Polarizability 25.19
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 884306-77-8 $286.35-$6,762.00$286.35$457.70$687.70$1,127.00$1,817.00$6,762.00
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