CAS
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Specification
The molecular formula is C8H19O4P.
The molecular weight is 210.21 g/mol.
The IUPAC name is 2-ethylhexyl dihydrogen phosphate.
The InChI is InChI=1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11).
The InChIKey is LJKDOMVGKKPJBH-UHFFFAOYSA-N.
The canonical SMILES is CCCCC(CC)COP(=O)(O)O.
The CAS number is 1070-03-7.
The UNII is 8939S90183.
The XLogP3-AA value is 1.6.
The hydrogen bond donor count is 2.