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88634-88-2 | Acetic acid, (triphenylphosphoranylidene)-, decyl ester
CAS No: 88634-88-2 Catalog No: AG004A6Z MDL No:
Product Description
Catalog Number:
AG004A6Z
Chemical Name:
Acetic acid, (triphenylphosphoranylidene)-, decyl ester
CAS Number:
88634-88-2
Molecular Formula:
C30H37O2P
Molecular Weight:
460.5873
IUPAC Name:
decyl 2-(triphenyl-λ5-phosphanylidene)acetate
InChI:
InChI=1S/C30H37O2P/c1-2-3-4-5-6-7-8-18-25-32-30(31)26-33(27-19-12-9-13-20-27,28-21-14-10-15-22-28)29-23-16-11-17-24-29/h9-17,19-24,26H,2-8,18,25H2,1H3
InChI Key:
ISUSHJJRLLMWJO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.253g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.598g/mol
Monoisotopic Mass:
460.253g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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