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Home > Aldehydes > 138517-53-0
138517-53-0 | 1,3-Dioxane-5-carboxaldehyde, 2,2,5-trimethyl-
CAS No: 138517-53-0 Catalog No: AG0019CM MDL No:
Product Description
Catalog Number:
AG0019CM
Chemical Name:
1,3-Dioxane-5-carboxaldehyde, 2,2,5-trimethyl-
CAS Number:
138517-53-0
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
2,2,5-trimethyl-1,3-dioxane-5-carbaldehyde
InChI:
InChI=1S/C8H14O3/c1-7(2)10-5-8(3,4-9)6-11-7/h4H,5-6H2,1-3H3
InChI Key:
OPUYRDYGFUDWJG-UHFFFAOYSA-N
SMILES:
O=CC1(C)COC(OC1)(C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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