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6238-13-7 | Quinuclidin-3-ol hydrochloride
CAS No: 6238-13-7 Catalog No: AG003JWI MDL No:MFCD00012729
Product Description
Catalog Number:
AG003JWI
Chemical Name:
Quinuclidin-3-ol hydrochloride
CAS Number:
6238-13-7
Molecular Formula:
C7H14ClNO
Molecular Weight:
163.6452
MDL Number:
MFCD00012729
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
InChI:
InChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H
InChI Key:
OYEJRVVBERZWPD-UHFFFAOYSA-N
SMILES:
OC1CN2CCC1CC2.Cl
EC Number:
228-352-2
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.076g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.645g/mol
Monoisotopic Mass:
163.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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