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125040-01-9 | Phosphonic acid, P-[(1E)-1-hydroxy-2-phenylethenyl]-, dimethyl ester
CAS No: 125040-01-9 Catalog No: AG000N18 MDL No:
Product Description
Catalog Number:
AG000N18
Chemical Name:
Phosphonic acid, P-[(1E)-1-hydroxy-2-phenylethenyl]-, dimethyl ester
CAS Number:
125040-01-9
Molecular Formula:
C10H13O4P
Molecular Weight:
228.1816
IUPAC Name:
1-dimethoxyphosphoryl-2-phenylethenol
InChI:
InChI=1S/C10H13O4P/c1-13-15(12,14-2)10(11)8-9-6-4-3-5-7-9/h3-8,11H,1-2H3
InChI Key:
GJVMKACEKJSBEE-UHFFFAOYSA-N
SMILES:
COP(=O)(/C(=C/c1ccccc1)/O)OC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.184g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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