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2137650-35-0 | 6-oxabicyclo[3.2.1]octane-2-carbaldehyde
CAS No: 2137650-35-0 Catalog No: AG01EMBW MDL No:MFCD31559330
Product Description
Catalog Number:
AG01EMBW
Chemical Name:
6-oxabicyclo[3.2.1]octane-2-carbaldehyde
CAS Number:
2137650-35-0
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD31559330
IUPAC Name:
6-oxabicyclo[3.2.1]octane-2-carbaldehyde
InChI:
InChI=1S/C8H12O2/c9-4-6-1-2-8-3-7(6)5-10-8/h4,6-8H,1-3,5H2
InChI Key:
KTAHHMSERHRZQZ-UHFFFAOYSA-N
SMILES:
O=CC1CCC2CC1CO2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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