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Home > Other Heterocycles > 143267-45-2
143267-45-2 | 7,8,9-Trioxabicyclo[4.2.1]nonane-1-pentanal
CAS No: 143267-45-2 Catalog No: AG006W8Y MDL No:
Product Description
Catalog Number:
AG006W8Y
Chemical Name:
7,8,9-Trioxabicyclo[4.2.1]nonane-1-pentanal
CAS Number:
143267-45-2
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
5-(7,8,9-trioxabicyclo[4.2.1]nonan-1-yl)pentanal
InChI:
InChI=1S/C11H18O4/c12-9-5-1-3-7-11-8-4-2-6-10(13-11)14-15-11/h9-10H,1-8H2
InChI Key:
UXOWKEAMYJDGAQ-UHFFFAOYSA-N
SMILES:
O=CCCCCC12CCCCC(O2)OO1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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