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89537-13-3 | Propanoic acid, 2-[[(4-phenylbutyl)(phenylmethoxy)phosphinyl]oxy]-
CAS No: 89537-13-3 Catalog No: AG003Z0P MDL No:
Product Description
Catalog Number:
AG003Z0P
Chemical Name:
Propanoic acid, 2-[[(4-phenylbutyl)(phenylmethoxy)phosphinyl]oxy]-
CAS Number:
89537-13-3
Molecular Formula:
C20H25O5P
Molecular Weight:
376.3833
IUPAC Name:
2-[4-phenylbutyl(phenylmethoxy)phosphoryl]oxypropanoic acid
InChI:
InChI=1S/C20H25O5P/c1-17(20(21)22)25-26(23,24-16-19-13-6-3-7-14-19)15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17H,8-9,12,15-16H2,1H3,(H,21,22)
InChI Key:
GRXQPRMUOZBLIL-UHFFFAOYSA-N
SMILES:
OC(=O)C(OP(=O)(OCc1ccccc1)CCCCc1ccccc1)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.144g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.389g/mol
Monoisotopic Mass:
376.144g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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