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113495-34-4 | 1,3-Dioxan-2-one, 4-ethenyl-
CAS No: 113495-34-4 Catalog No: AG0008RK MDL No:
Product Description
Catalog Number:
AG0008RK
Chemical Name:
1,3-Dioxan-2-one, 4-ethenyl-
CAS Number:
113495-34-4
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
4-ethenyl-1,3-dioxan-2-one
InChI:
InChI=1S/C6H8O3/c1-2-5-3-4-8-6(7)9-5/h2,5H,1,3-4H2
InChI Key:
QLGJJADOIZNTGA-UHFFFAOYSA-N
SMILES:
C=CC1CCOC(=O)O1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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