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84774-84-5 | Bicyclo[2.2.2]octane-1,4-dicarboxaldehyde
CAS No: 84774-84-5 Catalog No: AG004RRH MDL No:
Product Description
Catalog Number:
AG004RRH
Chemical Name:
Bicyclo[2.2.2]octane-1,4-dicarboxaldehyde
CAS Number:
84774-84-5
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
bicyclo[2.2.2]octane-1,4-dicarbaldehyde
InChI:
InChI=1S/C10H14O2/c11-7-9-1-2-10(8-12,5-3-9)6-4-9/h7-8H,1-6H2
InChI Key:
MBDZRSUBLWCISK-UHFFFAOYSA-N
SMILES:
O=CC12CCC(CC1)(CC2)C=O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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