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86251-75-4 | 1,3-Dioxane, 5-(1,3-dioxan-5-ylidene)-
CAS No: 86251-75-4 Catalog No: AG004S26 MDL No:
Product Description
Catalog Number:
AG004S26
Chemical Name:
1,3-Dioxane, 5-(1,3-dioxan-5-ylidene)-
CAS Number:
86251-75-4
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
5-(1,3-dioxan-5-ylidene)-1,3-dioxane
InChI:
InChI=1S/C8H12O4/c1-7(2-10-5-9-1)8-3-11-6-12-4-8/h1-6H2
InChI Key:
UGBAVGAIKBECAM-UHFFFAOYSA-N
SMILES:
O1COCC(=C2COCOC2)C1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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