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Home > Other Heterocycles > 1126795-00-3
1126795-00-3 | 3-Oxa-9-azabicyclo[3.3.1]nonan-7-one hydrochloride
CAS No: 1126795-00-3 Catalog No: AG003JUK MDL No:MFCD20491410
Product Description
Catalog Number:
AG003JUK
Chemical Name:
3-Oxa-9-azabicyclo[3.3.1]nonan-7-one hydrochloride
CAS Number:
1126795-00-3
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
MDL Number:
MFCD20491410
IUPAC Name:
3-oxa-9-azabicyclo[3.3.1]nonan-7-one;hydrochloride
InChI:
InChI=1S/C7H11NO2.ClH/c9-7-1-5-3-10-4-6(2-7)8-5;/h5-6,8H,1-4H2;1H
InChI Key:
WEAFOEKQEGQXCG-UHFFFAOYSA-N
SMILES:
O=C1CC2COCC(C1)N2.Cl
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.628g/mol
Monoisotopic Mass:
177.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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