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Home > Aldehydes > 141521-22-4
141521-22-4 | 1,4-Dioxaspiro[4.5]decane-2-carboxaldehyde, 2-ethyl-, (2R)-
CAS No: 141521-22-4 Catalog No: AG001GIQ MDL No:
Product Description
Catalog Number:
AG001GIQ
Chemical Name:
1,4-Dioxaspiro[4.5]decane-2-carboxaldehyde, 2-ethyl-, (2R)-
CAS Number:
141521-22-4
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
(3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
InChI:
InChI=1S/C11H18O3/c1-2-10(8-12)9-13-11(14-10)6-4-3-5-7-11/h8H,2-7,9H2,1H3/t10-/m0/s1
InChI Key:
JGQRLEMRZJIUAB-JTQLQIEISA-N
SMILES:
CC[C@]1(C=O)COC2(O1)CCCCC2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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