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20615-12-7 | 1,3-Dioxane, 2,5-dimethyl-
CAS No: 20615-12-7 Catalog No: AG002AJH MDL No:
Product Description
Catalog Number:
AG002AJH
Chemical Name:
1,3-Dioxane, 2,5-dimethyl-
CAS Number:
20615-12-7
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
2,5-dimethyl-1,3-dioxane
InChI:
InChI=1S/C6H12O2/c1-5-3-7-6(2)8-4-5/h5-6H,3-4H2,1-2H3
InChI Key:
RPMUDXVQHUECRE-UHFFFAOYSA-N
SMILES:
CC1OCC(CO1)C
Properties
Complexity:
64.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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