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88226-69-1 | Bicyclo[4.2.1]nonane-1-carboxaldehyde, 6-(acetyloxy)-
CAS No: 88226-69-1 Catalog No: AG004BF3 MDL No:
Product Description
Catalog Number:
AG004BF3
Chemical Name:
Bicyclo[4.2.1]nonane-1-carboxaldehyde, 6-(acetyloxy)-
CAS Number:
88226-69-1
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
(6-formyl-1-bicyclo[4.2.1]nonanyl) acetate
InChI:
InChI=1S/C12H18O3/c1-10(14)15-12-5-3-2-4-11(8-12,9-13)6-7-12/h9H,2-8H2,1H3
InChI Key:
QXKSKUIXKVLWJW-UHFFFAOYSA-N
SMILES:
O=CC12CCCCC(C2)(CC1)OC(=O)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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