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880871-30-7 | Phosphinic acid, (2,5-dihydroxyphenyl)phenyl-, 2,6-dimethylphenyl ester
CAS No: 880871-30-7 Catalog No: AG004H3R MDL No:
Product Description
Catalog Number:
AG004H3R
Chemical Name:
Phosphinic acid, (2,5-dihydroxyphenyl)phenyl-, 2,6-dimethylphenyl ester
CAS Number:
880871-30-7
Molecular Formula:
C20H19O4P
Molecular Weight:
354.3362
IUPAC Name:
2-[(2,6-dimethylphenoxy)-phenylphosphoryl]benzene-1,4-diol
InChI:
InChI=1S/C20H19O4P/c1-14-7-6-8-15(2)20(14)24-25(23,17-9-4-3-5-10-17)19-13-16(21)11-12-18(19)22/h3-13,21-22H,1-2H3
InChI Key:
GEQQZMCZSRHICC-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)P(=O)(c1ccccc1)Oc1c(C)cccc1C)O
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.102g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.342g/mol
Monoisotopic Mass:
354.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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