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ethyl 7-azabicyclo[4.2.0]octane-2-carboxylate

ethyl 7-azabicyclo[4.2.0]octane-2-carboxylate

Formula: C10H17NO2

SMILES: CCOC(=O)C1CCCC2NCC12

IUPAC: ethyl 7-azabicyclo[4.2.0]octane-2-carboxylate

InChI: InChI=1/C10H17NO2/c1-2-13-10(12)7-4-3-5-9-8(7)6-11-9/h7-9,11H,2-6H2,1H3

Composition: C (65.54%), H (9.35%), N (7.64%), O (17.46%)

Molar Mass: 183.251

Atom Count: 30

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 183.125928791
Formal Charge 0
FSP3 0.9
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SHKLFLIYSJKJGY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.51
Topological Polar Surface Area 38.33
Polarizability 19.99
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
96% <2 Days C10H17NO2 $2,162.00-$8,047.70$2,162.00$8,047.70
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