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ethyl 3-(3,4-dimethoxyphenyl)-3-(diphenylphosphoroso)propanoate

ethyl 3-(3,4-dimethoxyphenyl)-3-(diphenylphosphoroso)propanoate

Formula: C25H27O5P

SMILES: CCOC(=O)CC(C1=CC=C(OC)C(OC)=C1)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: ethyl 3-(3,4-dimethoxyphenyl)-3-(diphenylphosphoroso)propanoate

InChI: InChI=1/C25H27O5P/c1-4-30-25(26)18-24(19-15-16-22(28-2)23(17-19)29-3)31(27,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17,24H,4,18H2,1-3H3

Composition: C (68.48%), H (6.21%), O (18.24%), P (7.06%)

Molar Mass: 438.46

Atom Count: 58

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 438.159610967
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey GCUPWNQARGIIAB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.83
Topological Polar Surface Area 61.83
Polarizability 47.94
Ring Count 3
Rotatable Bond Count 10

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H27O5P $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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