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6-oxa-3-azabicyclo[3.1.1]heptane

6-oxa-3-azabicyclo[3.1.1]heptane

CAS: 112461-31-1

Formula: C5H9NO

SMILES: C1C2CNCC1O2

IUPAC: 6-oxa-3-azabicyclo[3.1.1]heptane

InChI: InChI=1/C5H9NO/c1-4-2-6-3-5(1)7-4/h4-6H,1-3H2

Composition: C (60.58%), H (9.15%), N (14.13%), O (16.14%)

Molar Mass: 99.133

Atom Count: 16

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 99.068413914
Formal Charge 0
FSP3 1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WDJAQSJMDRFZIX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 26
Topological Polar Surface Area 21.26
Polarizability 10.7
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 112461-31-1 $554.00-$739.00$554.00$739.00
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J&W PHARMLAB LLC
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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 112461-31-1 $157.55-$2,748.50$157.55$201.25$286.35$457.70$687.70$2,748.50
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