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2064-05-3 | BICYCLO[2.2.2]OCTANE-1-CARBALDEHYDE
CAS No: 2064-05-3 Catalog No: AG01BI2L MDL No:MFCD24674111
Product Description
Catalog Number:
AG01BI2L
Chemical Name:
BICYCLO[2.2.2]OCTANE-1-CARBALDEHYDE
CAS Number:
2064-05-3
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD24674111
IUPAC Name:
bicyclo[2.2.2]octane-1-carbaldehyde
InChI:
InChI=1S/C9H14O/c10-7-9-4-1-8(2-5-9)3-6-9/h7-8H,1-6H2
InChI Key:
MPLAMJZRRHSDCU-UHFFFAOYSA-N
SMILES:
O=CC12CCC(CC1)CC2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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