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84028-77-3 | Pentanoic acid, 4-oxo-5-(triphenylphosphoranylidene)-, methyl ester
CAS No: 84028-77-3 Catalog No: AG0051R1 MDL No:
Product Description
Catalog Number:
AG0051R1
Chemical Name:
Pentanoic acid, 4-oxo-5-(triphenylphosphoranylidene)-, methyl ester
CAS Number:
84028-77-3
Molecular Formula:
C24H23O3P
Molecular Weight:
390.4114
IUPAC Name:
methyl 4-oxo-5-(triphenyl-λ5-phosphanylidene)pentanoate
InChI:
InChI=1S/C24H23O3P/c1-27-24(26)18-17-20(25)19-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19H,17-18H2,1H3
InChI Key:
QMKOFSHNERZWOC-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.138g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.419g/mol
Monoisotopic Mass:
390.138g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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