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Home Other Building Blocks (2-Phenylethyl)phosphonic acid

(2-Phenylethyl)phosphonic acid

CAS No.:
4672-30-4
Catalog Number:
AG003HVH
Molecular Formula:
C8H11O3P
Molecular Weight:
186.1449
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(T)(HPLC)
1 week
United States
$1088
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Product Description
Catalog Number:
AG003HVH
Chemical Name:
(2-Phenylethyl)phosphonic acid
CAS Number:
4672-30-4
Molecular Formula:
C8H11O3P
Molecular Weight:
186.1449
MDL Number:
MFCD00485102
IUPAC Name:
2-phenylethylphosphonic acid
InChI:
InChI=1S/C8H11O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)
InChI Key:
BFDYSJCMAFSRDH-UHFFFAOYSA-N
SMILES:
OP(=O)(CCc1ccccc1)O
EC Number:
225-120-2
NSC Number:
140288
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
186.147g/mol
Monoisotopic Mass:
186.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies. Journal of medicinal chemistry 20110714
Properties