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190067-07-3 | Phosphonic acid, [1-hydroxy-4-(3-phenoxyphenyl)butyl]-, diethyl ester (9CI)
CAS No: 190067-07-3 Catalog No: AG002EAQ MDL No:
Product Description
Catalog Number:
AG002EAQ
Chemical Name:
Phosphonic acid, [1-hydroxy-4-(3-phenoxyphenyl)butyl]-, diethyl ester (9CI)
CAS Number:
190067-07-3
Molecular Formula:
C20H27O5P
Molecular Weight:
378.3991
IUPAC Name:
1-diethoxyphosphoryl-4-(3-phenoxyphenyl)butan-1-ol
InChI:
InChI=1S/C20H27O5P/c1-3-23-26(22,24-4-2)20(21)15-9-11-17-10-8-14-19(16-17)25-18-12-6-5-7-13-18/h5-8,10,12-14,16,20-21H,3-4,9,11,15H2,1-2H3
InChI Key:
ITCVYMADOBUNHE-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(CCCc1cccc(c1)Oc1ccccc1)O)OCC
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.16g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.405g/mol
Monoisotopic Mass:
378.16g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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