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89084-30-0 | 1-Propanone, 1-(1,3-benzodioxol-5-yl)-2-(diphenylphosphinyl)-
CAS No: 89084-30-0 Catalog No: AG00408G MDL No:
Product Description
Catalog Number:
AG00408G
Chemical Name:
1-Propanone, 1-(1,3-benzodioxol-5-yl)-2-(diphenylphosphinyl)-
CAS Number:
89084-30-0
Molecular Formula:
C22H19O4P
Molecular Weight:
378.3576
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-2-diphenylphosphorylpropan-1-one
InChI:
InChI=1S/C22H19O4P/c1-16(22(23)17-12-13-20-21(14-17)26-15-25-20)27(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,16H,15H2,1H3
InChI Key:
QZLOSFFRCXBAHJ-UHFFFAOYSA-N
SMILES:
O=C(C(P(=O)(c1ccccc1)c1ccccc1)C)c1ccc2c(c1)OCO2
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.102g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.364g/mol
Monoisotopic Mass:
378.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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