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89561-58-0

89561-58-0 | Phosphonic acid, [1-(hexyloxy)-1-phenylethyl]-

CAS No: 89561-58-0 Catalog No: AG003ZCP MDL No:

Product Description

Catalog Number:
AG003ZCP
Chemical Name:
Phosphonic acid, [1-(hexyloxy)-1-phenylethyl]-
CAS Number:
89561-58-0
Molecular Formula:
C14H23O4P
Molecular Weight:
286.3038
IUPAC Name:
(1-hexoxy-1-phenylethyl)phosphonic acid
InChI:
InChI=1S/C14H23O4P/c1-3-4-5-9-12-18-14(2,19(15,16)17)13-10-7-6-8-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3,(H2,15,16,17)
InChI Key:
KYXBRGDYGDOBAX-UHFFFAOYSA-N
SMILES:
CCCCCCOC(P(=O)(O)O)(c1ccccc1)C

Properties

Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.133g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.308g/mol
Monoisotopic Mass:
286.133g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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