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89805-09-4 | 1,4-Benzodioxin, 2-oxiranyl-
CAS No: 89805-09-4 Catalog No: AG003ZHR MDL No:
Product Description
Catalog Number:
AG003ZHR
Chemical Name:
1,4-Benzodioxin, 2-oxiranyl-
CAS Number:
89805-09-4
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
IUPAC Name:
3-(oxiran-2-yl)-1,4-benzodioxine
InChI:
InChI=1S/C10H8O3/c1-2-4-8-7(3-1)11-6-10(13-8)9-5-12-9/h1-4,6,9H,5H2
InChI Key:
KJMSQOFOFFJDCB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)OC(=CO2)C1CO1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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