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methyl 6-azabicyclo[3.1.1]heptane-1-carboxylate

methyl 6-azabicyclo[3.1.1]heptane-1-carboxylate

CAS: 1890153-11-3

Formula: C8H13NO2

SMILES: COC(=O)C12CC(CCC1)N2

IUPAC: methyl 6-azabicyclo[3.1.1]heptane-1-carboxylate

InChI: InChI=1/C8H13NO2/c1-11-7(10)8-4-2-3-6(5-8)9-8/h6,9H,2-5H2,1H3

Composition: C (61.91%), H (8.44%), N (9.03%), O (20.62%)

Molar Mass: 155.197

Atom Count: 24

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 155.094628663
Formal Charge 0
FSP3 0.87
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BXRLIWZRSZZGTG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.97
Topological Polar Surface Area 38.33
Polarizability 16.31
Ring Count 2
Rotatable Bond Count 2

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97% <2 Days 1890153-11-3 $1,932.00-$3,059.00$1,932.00$3,059.00$11,362.00
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