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161179-36-8 | Butanoic acid, 3-[(diphenoxyphosphinyl)oxy]-, phenylmethyl ester
CAS No: 161179-36-8 Catalog No: AG001S85 MDL No:
Product Description
Catalog Number:
AG001S85
Chemical Name:
Butanoic acid, 3-[(diphenoxyphosphinyl)oxy]-, phenylmethyl ester
CAS Number:
161179-36-8
Molecular Formula:
C23H23O6P
Molecular Weight:
426.3989
IUPAC Name:
benzyl 3-diphenoxyphosphoryloxybutanoate
InChI:
InChI=1S/C23H23O6P/c1-19(17-23(24)26-18-20-11-5-2-6-12-20)27-30(25,28-21-13-7-3-8-14-21)29-22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3
InChI Key:
PZJPMPAVOWAAIO-UHFFFAOYSA-N
SMILES:
O=C(CC(OP(=O)(Oc1ccccc1)Oc1ccccc1)C)OCc1ccccc1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.123g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.405g/mol
Monoisotopic Mass:
426.123g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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