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113713-91-0 | Pentanal, 2-(diphenylphosphinyl)-
CAS No: 113713-91-0 Catalog No: AG0009FT MDL No:
Product Description
Catalog Number:
AG0009FT
Chemical Name:
Pentanal, 2-(diphenylphosphinyl)-
CAS Number:
113713-91-0
Molecular Formula:
C17H19O2P
Molecular Weight:
286.3053
IUPAC Name:
2-diphenylphosphorylpentanal
InChI:
InChI=1S/C17H19O2P/c1-2-9-17(14-18)20(19,15-10-5-3-6-11-15)16-12-7-4-8-13-16/h3-8,10-14,17H,2,9H2,1H3
InChI Key:
TZMUIQGDJNHMPN-UHFFFAOYSA-N
SMILES:
CCCC(P(=O)(c1ccccc1)c1ccccc1)C=O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.311g/mol
Monoisotopic Mass:
286.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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