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Home > Other Heterocycles > 1955474-60-8
1955474-60-8 | (1S,6R)-7,7-dimethyl-2-azabicyclo[4.1.1]octan-3-one
CAS No: 1955474-60-8 Catalog No: AG01B66D MDL No:MFCD30181291
Product Description
Catalog Number:
AG01B66D
Chemical Name:
(1S,6R)-7,7-dimethyl-2-azabicyclo[4.1.1]octan-3-one
CAS Number:
1955474-60-8
Molecular Formula:
C9H15NO
Molecular Weight:
153.2215
MDL Number:
MFCD30181291
IUPAC Name:
(1R,6S)-7,7-dimethyl-2-azabicyclo[4.1.1]octan-3-one
InChI:
InChI=1S/C9H15NO/c1-9(2)6-3-4-8(11)10-7(9)5-6/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7+/m0/s1
InChI Key:
QWIDXVHOGOXFLU-NKWVEPMBSA-N
SMILES:
O=C1CC[C@@H]2C[C@H](N1)C2(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
153.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.225g/mol
Monoisotopic Mass:
153.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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