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114496-48-9 | Phosphonic acid, P-[(4-benzoylphenyl)methyl]-
CAS No: 114496-48-9 Catalog No: AG000EK8 MDL No:
Product Description
Catalog Number:
AG000EK8
Chemical Name:
Phosphonic acid, P-[(4-benzoylphenyl)methyl]-
CAS Number:
114496-48-9
Molecular Formula:
C14H13O4P
Molecular Weight:
276.2244
IUPAC Name:
(4-benzoylphenyl)methylphosphonic acid
InChI:
InChI=1S/C14H13O4P/c15-14(12-4-2-1-3-5-12)13-8-6-11(7-9-13)10-19(16,17)18/h1-9H,10H2,(H2,16,17,18)
InChI Key:
AULNTBIQRMMWHU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1ccc(cc1)CP(=O)(O)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.228g/mol
Monoisotopic Mass:
276.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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