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79439-61-5 | Phosphonic acid, [(1E)-1-hydroxy-2-phenylethenyl]-, diethyl ester
CAS No: 79439-61-5 Catalog No: AG005K3F MDL No:
Product Description
Catalog Number:
AG005K3F
Chemical Name:
Phosphonic acid, [(1E)-1-hydroxy-2-phenylethenyl]-, diethyl ester
CAS Number:
79439-61-5
Molecular Formula:
C12H17O4P
Molecular Weight:
256.2347
IUPAC Name:
1-diethoxyphosphoryl-2-phenylethenol
InChI:
InChI=1S/C12H17O4P/c1-3-15-17(14,16-4-2)12(13)10-11-8-6-5-7-9-11/h5-10,13H,3-4H2,1-2H3
InChI Key:
ASXCYKABHSYRNO-UHFFFAOYSA-N
SMILES:
CCOP(=O)(/C(=C/c1ccccc1)/O)OCC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.238g/mol
Monoisotopic Mass:
256.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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