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212051-02-0 | 1,3-Dioxane-5-acetaldehyde, 2,2-dimethyl-5-(2-methylene-3-butenyl)-
CAS No: 212051-02-0 Catalog No: AG007OSB MDL No:
Product Description
Catalog Number:
AG007OSB
Chemical Name:
1,3-Dioxane-5-acetaldehyde, 2,2-dimethyl-5-(2-methylene-3-butenyl)-
CAS Number:
212051-02-0
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
2-[2,2-dimethyl-5-(2-methylidenebut-3-enyl)-1,3-dioxan-5-yl]acetaldehyde
InChI:
InChI=1S/C13H20O3/c1-5-11(2)8-13(6-7-14)9-15-12(3,4)16-10-13/h5,7H,1-2,6,8-10H2,3-4H3
InChI Key:
RYWSVIVTHSBSHO-UHFFFAOYSA-N
SMILES:
O=CCC1(COC(OC1)(C)C)CC(=C)C=C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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