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Home > Other Heterocycles > 114725-01-8
114725-01-8 | 1-Azabicyclo[2.2.2]octan-3-one, 2-methyl-, hydrochloride (1:1)
CAS No: 114725-01-8 Catalog No: AG000F4B MDL No:
Product Description
Catalog Number:
AG000F4B
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-one, 2-methyl-, hydrochloride (1:1)
CAS Number:
114725-01-8
Molecular Formula:
C8H14ClNO
Molecular Weight:
175.6559
IUPAC Name:
2-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride
InChI:
InChI=1S/C8H13NO.ClH/c1-6-8(10)7-2-4-9(6)5-3-7;/h6-7H,2-5H2,1H3;1H
InChI Key:
YQTAQJRDVMECNM-UHFFFAOYSA-N
SMILES:
O=C1C2CCN(C1C)CC2.Cl
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.076g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.656g/mol
Monoisotopic Mass:
175.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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