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(R) - (-) -3-Quinuclidinol

CAT: 0926-FQ02772-01Size: 0.005 kgDry Ice: NoHazardous: No
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CAT#:0926-FQ02772-01Size:0.005 kg
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CAS Number
25333-42-0
Synonyms
Quinuclidin-3-ol
MDL Number
MFCD13191732
Smiles
C1CN2CCC1[C@H] (C2) O
Molecular Formula
C7H13NO
Molecular Weight
127.18 g/mol
Controlled
Yes

Chemical Information

3-Quinuclidinol, (-)-
CAS Number25333-42-0
PubChem CID91404
IUPAC Name(3R)-1-azabicyclo[2.2.2]octan-3-ol
Molecular FormulaC7H13NO
Molecular Weight127.18
XLogP0.2
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity107
SMILES
C1CN2CCC1[C@H](C2)O
InChI
InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m0/s1
InChIKey
IVLICPVPXWEGCA-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of 3-Quinuclidinol, (-)-
CAS: 25333-42-0
CID: 91404
Formula: C7H13NO
MW: 127.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight127.18
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass127.099714038
Monoisotopic Mass127.099714038
Topological Polar Surface Area23.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity107
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes