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Home > Aldehydes > 132929-71-6
132929-71-6 | Bicyclo[5.3.1]undec-7-ene-4-carboxaldehyde, 4,8,11,11-tetramethyl-3-oxo-, (4R*,7R*)- (9CI)
CAS No: 132929-71-6 Catalog No: AG0011EM MDL No:
Product Description
Catalog Number:
AG0011EM
Chemical Name:
Bicyclo[5.3.1]undec-7-ene-4-carboxaldehyde, 4,8,11,11-tetramethyl-3-oxo-, (4R*,7R*)- (9CI)
CAS Number:
132929-71-6
Molecular Formula:
C16H24O2
Molecular Weight:
248.3606
IUPAC Name:
4,10,11,11-tetramethyl-5-oxobicyclo[5.3.1]undec-1(10)-ene-4-carbaldehyde
InChI:
InChI=1S/C16H24O2/c1-11-5-6-12-9-14(18)16(4,10-17)8-7-13(11)15(12,2)3/h10,12H,5-9H2,1-4H3
InChI Key:
LFDQPDHLLJWAIP-UHFFFAOYSA-N
SMILES:
O=C[C@@]1(C)CCC2=C(C)CC[C@H](CC1=O)C2(C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.366g/mol
Monoisotopic Mass:
248.178g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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