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84255-36-7 | Methanone,phenyl[7-(phosphonooxy)-2-naphthalenyl]-, sodium salt (1:2)
CAS No: 84255-36-7 Catalog No: AG004YQ4 MDL No:
Product Description
Catalog Number:
AG004YQ4
Chemical Name:
Methanone,phenyl[7-(phosphonooxy)-2-naphthalenyl]-, sodium salt (1:2)
CAS Number:
84255-36-7
Molecular Formula:
C34H24Na2O8P2
Molecular Weight:
668.4766
IUPAC Name:
disodium;(7-benzoylnaphthalen-2-yl) phosphate
InChI:
InChI=1S/C17H13O5P.2Na/c18-17(13-4-2-1-3-5-13)14-7-6-12-8-9-16(11-15(12)10-14)22-23(19,20)21;;/h1-11H,(H2,19,20,21);;/q;2*+1/p-2
InChI Key:
YUYBFJNKRHIBIO-UHFFFAOYSA-L
SMILES:
[O-]P(=O)Oc1ccc2c(c1)cc(cc2)C(=O)c1ccccc1.[O-]P(=O)Oc1ccc2c(c1)cc(cc2)C(=O)c1ccccc1.[Na+].[Na+]
EC Number:
282-584-9
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.014g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.223g/mol
Monoisotopic Mass:
372.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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