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Home > Aldehydes > 111036-02-3
111036-02-3 | Bicyclo[2.2.2]octane-2-carboxaldehyde, 2-(2-chloro-2-propenyl)-
CAS No: 111036-02-3 Catalog No: AG007BOV MDL No:
Product Description
Catalog Number:
AG007BOV
Chemical Name:
Bicyclo[2.2.2]octane-2-carboxaldehyde, 2-(2-chloro-2-propenyl)-
CAS Number:
111036-02-3
Molecular Formula:
C12H17ClO
Molecular Weight:
212.7158
IUPAC Name:
2-(2-chloroprop-2-enyl)bicyclo[2.2.2]octane-2-carbaldehyde
InChI:
InChI=1S/C12H17ClO/c1-9(13)6-12(8-14)7-10-2-4-11(12)5-3-10/h8,10-11H,1-7H2
InChI Key:
AXOXPONYGHXXLQ-UHFFFAOYSA-N
SMILES:
O=CC1(CC2CCC1CC2)CC(=C)Cl
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.717g/mol
Monoisotopic Mass:
212.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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