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18948-89-5 | 1,3-Dioxol-1-ium, 4,5-dihydro-2-phenyl-
CAS No: 18948-89-5 Catalog No: AG002DPK MDL No:
Product Description
Catalog Number:
AG002DPK
Chemical Name:
1,3-Dioxol-1-ium, 4,5-dihydro-2-phenyl-
CAS Number:
18948-89-5
Molecular Formula:
C9H9O2+
Molecular Weight:
149.1666
IUPAC Name:
2-phenyl-4,5-dihydro-1,3-dioxol-1-ium
InChI:
InChI=1S/C9H9O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2/q+1
InChI Key:
JSRFJXDXHIPKDW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=[O+]CCO1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.06g/mol
Formal Charge:
1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.169g/mol
Monoisotopic Mass:
149.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| A novel inhibitor of the PI3K/Akt pathway based on the structure of inositol 1,3,4,5,6-pentakisphosphate. | British journal of cancer 20100105 |
| Regioselective hydrolysis of myo-inositol 1,3,5-orthobenzoate via a 1,2-bridged 2'-phenyl-1',3'-dioxolan-2'-ylium ion provides a rapid route to the anticancer agent Ins(1,3,4,5,6)P5. | Chemical communications (Cambridge, England) 20060728 |
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