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Home > Other Heterocycles > 93796-39-5
93796-39-5 | 1,4-Dioxaspiro[4.5]decan-2-one, 3-(triphenylphosphoranylidene)-
CAS No: 93796-39-5 Catalog No: AG0060PP MDL No:
Product Description
Catalog Number:
AG0060PP
Chemical Name:
1,4-Dioxaspiro[4.5]decan-2-one, 3-(triphenylphosphoranylidene)-
CAS Number:
93796-39-5
Molecular Formula:
C26H25O3P
Molecular Weight:
416.4487
IUPAC Name:
3-(triphenyl-λ5-phosphanylidene)-1,4-dioxaspiro[4.5]decan-2-one
InChI:
InChI=1S/C26H25O3P/c27-24-25(29-26(28-24)19-11-4-12-20-26)30(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2
InChI Key:
XRKVOBVXRKUBDN-UHFFFAOYSA-N
SMILES:
O=C1OC2(OC1=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCC2
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.154g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.457g/mol
Monoisotopic Mass:
416.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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