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79012-29-6 | 1,3-Dioxane-2-acetaldehyde
CAS No: 79012-29-6 Catalog No: AG0054HN MDL No:
Product Description
Catalog Number:
AG0054HN
Chemical Name:
1,3-Dioxane-2-acetaldehyde
CAS Number:
79012-29-6
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
2-(1,3-dioxan-2-yl)acetaldehyde
InChI:
InChI=1S/C6H10O3/c7-3-2-6-8-4-1-5-9-6/h3,6H,1-2,4-5H2
InChI Key:
XSUHDQDPZLKTQB-UHFFFAOYSA-N
SMILES:
O=CCC1OCCCO1
Properties
Complexity:
86.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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