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1-azabicyclo[2.2.2]octan-3-one

1-azabicyclo[2.2.2]octan-3-one

CAS: 3731-38-2

Formula: C7H11NO

SMILES: O=C1CN2CCC1CC2

IUPAC: 1-azabicyclo[2.2.2]octan-3-one

InChI: InChI=1S/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2

Composition: C (67.17%), H (8.86%), N (11.19%), O (12.78%)

Molar Mass: 125.171

Atom Count: 20

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 125.084063978
Formal Charge 0
FSP3 0.86
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZKMZPXWMMSBLNO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.36
Topological Polar Surface Area 20.31
Polarizability 13.76
Ring Count 2
Rotatable Bond Count 0

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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 3731-38-2 $738.00$738.00
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Shanghai AQ BioPharma Co., Ltd.
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Purity LeadTime CAS PacketSize UnitPrice
95% <8 Days 3731-38-2 $64.29-$925.71$64.29$192.86$308.57$578.57$925.71
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J&W PHARMLAB LLC
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Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 3731-38-2 $138.00-$621.00$138.00$621.00
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