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Home > Other Heterocycles > 13887-00-8
13887-00-8 | 9-Phosphabicyclo[3.3.1]nonane,9-eicosyl-
CAS No: 13887-00-8 Catalog No: AG006Z6S MDL No:
Product Description
Catalog Number:
AG006Z6S
Chemical Name:
9-Phosphabicyclo[3.3.1]nonane,9-eicosyl-
CAS Number:
13887-00-8
Molecular Formula:
C28H55P
Molecular Weight:
422.7101
IUPAC Name:
9-icosyl-9-phosphabicyclo[3.3.1]nonane
InChI:
InChI=1S/C28H55P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-29-27-22-20-23-28(29)25-21-24-27/h27-28H,2-26H2,1H3
InChI Key:
QBUBJAXSVUKLBJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCP1C2CCCC1CCC2
EC Number:
237-652-2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.404g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.722g/mol
Monoisotopic Mass:
422.404g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7
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