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85464-10-4 | Butanal, 2-(diphenylphosphinyl)-3-methyl-
CAS No: 85464-10-4 Catalog No: AG004JU6 MDL No:
Product Description
Catalog Number:
AG004JU6
Chemical Name:
Butanal, 2-(diphenylphosphinyl)-3-methyl-
CAS Number:
85464-10-4
Molecular Formula:
C17H19O2P
Molecular Weight:
286.3053
IUPAC Name:
2-diphenylphosphoryl-3-methylbutanal
InChI:
InChI=1S/C17H19O2P/c1-14(2)17(13-18)20(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,17H,1-2H3
InChI Key:
MERCNQRXNRJQHQ-UHFFFAOYSA-N
SMILES:
O=CC(P(=O)(c1ccccc1)c1ccccc1)C(C)C
Properties
Complexity:
330
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:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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