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23253-30-7 | 1,2,4-Trioxolane, 3-phenyl-
CAS No: 23253-30-7 Catalog No: AG002MNY MDL No:
Product Description
Catalog Number:
AG002MNY
Chemical Name:
1,2,4-Trioxolane, 3-phenyl-
CAS Number:
23253-30-7
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
IUPAC Name:
3-phenyl-1,2,4-trioxolane
InChI:
InChI=1S/C8H8O3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-5,8H,6H2
InChI Key:
XNTUDDFWOBWITE-UHFFFAOYSA-N
SMILES:
C1OOC(O1)c1ccccc1
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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