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Home > Aldehydes > 921208-35-7
921208-35-7 | 3-Oxa-7-azabicyclo[3.3.1]nonane-7-carboxaldehyde, 9-oxo-
CAS No: 921208-35-7 Catalog No: AG006J2R MDL No:
Product Description
Catalog Number:
AG006J2R
Chemical Name:
3-Oxa-7-azabicyclo[3.3.1]nonane-7-carboxaldehyde, 9-oxo-
CAS Number:
921208-35-7
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
9-oxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carbaldehyde
InChI:
InChI=1S/C8H11NO3/c10-5-9-1-6-3-12-4-7(2-9)8(6)11/h5-7H,1-4H2
InChI Key:
PGMWSOKAKUIYFX-UHFFFAOYSA-N
SMILES:
O=CN1CC2COCC(C1)C2=O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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