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132541-47-0 | Phosphonic acid, [(4-formylphenyl)methyl]-, bis(1,1-dimethylethyl) ester (9CI)
CAS No: 132541-47-0 Catalog No: AG0010TL MDL No:
Product Description
Catalog Number:
AG0010TL
Chemical Name:
Phosphonic acid, [(4-formylphenyl)methyl]-, bis(1,1-dimethylethyl) ester (9CI)
CAS Number:
132541-47-0
Molecular Formula:
C16H25O4P
Molecular Weight:
312.3411
IUPAC Name:
4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]benzaldehyde
InChI:
InChI=1S/C16H25O4P/c1-15(2,3)19-21(18,20-16(4,5)6)12-14-9-7-13(11-17)8-10-14/h7-11H,12H2,1-6H3
InChI Key:
JFQSRYVWPVFJDF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)CP(=O)(OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.346g/mol
Monoisotopic Mass:
312.149g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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