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(+/-)-Exo-6-hydroxytropinone

CAT: 0572-TRC-E975135-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E975135-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5932-53-6
Synonyms
Exo-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one; (±)-6β-Hydroxytropan-3-one; (±)-6β-Hydroxytropinone; 1αH,5αH-Tropan-3-one, 6β-hydroxy- (8CI); 8-Azabicyclo[3.2.1]octan-3-one, 6-hydroxy-8-methyl-, exo-; Tropinone, 6β-hydroxy- (6CI,7CI); rel-(1R,5R,6S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one; (±)-6β-Hydroxytropan-3-one; (±)-6β-Hydroxytropinone
Hazard Statement
Harmful if swallowed
Smiles
CN1[C@H]2C[C@@H](O)[C@@H]1CC(=O)C2
Molecular Formula
C8 H13 N O2
Molecular Weight
155.194
InChI
InChI=1S/C8H13NO2/c1-9-5-2-6(10)4-7(9)8(11)3-5/h5,7-8,11H,2-4H2,1H3/t5-,7+,8-/m1/s1
Additionnal Information
IUPAC name: (1S,5S,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

7-Hydroxy-8-methylazabicyclo(3.2.1)octan-3-one
CAS Number5932-53-6
PubChem CID110737
IUPAC Name6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Molecular FormulaC8H13NO2
Molecular Weight155.19
XLogP-0.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity193
SMILES
CN1C2CC(C1CC(=O)C2)O
InChI
InChI=1S/C8H13NO2/c1-9-5-2-6(10)4-7(9)8(11)3-5/h5,7-8,11H,2-4H2,1H3
InChIKey
UOHSTKWPZWFYTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxy-8-methylazabicyclo(3.2.1)octan-3-one
CAS: 5932-53-6
CID: 110737
Formula: C8H13NO2
MW: 155.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.19
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass155.094628657
Monoisotopic Mass155.094628657
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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