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methyl 7-azabicyclo[4.2.0]octane-8-carboxylate

methyl 7-azabicyclo[4.2.0]octane-8-carboxylate

Formula: C9H15NO2

SMILES: COC(=O)C1NC2CCCCC12

IUPAC: methyl 7-azabicyclo[4.2.0]octane-8-carboxylate

InChI: InChI=1/C9H15NO2/c1-12-9(11)8-6-4-2-3-5-7(6)10-8/h6-8,10H,2-5H2,1H3

Composition: C (63.88%), H (8.93%), N (8.28%), O (18.91%)

Molar Mass: 169.224

Atom Count: 27

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 169.110278727
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RFTKBQCEUKACNV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.35
Topological Polar Surface Area 38.33
Polarizability 18.15
Ring Count 2
Rotatable Bond Count 2

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J&W PHARMLAB LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C9H15NO2 $11,362.00-$3,447.70$2,297.70$3,447.70$11,362.00
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