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87013-24-9 | 2-OXA-3-AZABICYCLO[2.2.2]OCTANE-3-CARBOXALDEHYDE
CAS No: 87013-24-9 Catalog No: AG004GQX MDL No:
Product Description
Catalog Number:
AG004GQX
Chemical Name:
2-OXA-3-AZABICYCLO[2.2.2]OCTANE-3-CARBOXALDEHYDE
CAS Number:
87013-24-9
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
2-oxa-3-azabicyclo[2.2.2]octane-3-carbaldehyde
InChI:
InChI=1S/C7H11NO2/c9-5-8-6-1-3-7(10-8)4-2-6/h5-7H,1-4H2
InChI Key:
HMUYCIFQRBWDMT-UHFFFAOYSA-N
SMILES:
O=CN1OC2CCC1CC2
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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