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88277-26-3 | Phosphonic acid, (3-methyl-2-oxo-5-undecynyl)-, dimethyl ester
CAS No: 88277-26-3 Catalog No: AG0049VC MDL No:
Product Description
Catalog Number:
AG0049VC
Chemical Name:
Phosphonic acid, (3-methyl-2-oxo-5-undecynyl)-, dimethyl ester
CAS Number:
88277-26-3
Molecular Formula:
C14H25O4P
Molecular Weight:
288.3197
IUPAC Name:
1-dimethoxyphosphoryl-3-methylundec-5-yn-2-one
InChI:
InChI=1S/C14H25O4P/c1-5-6-7-8-9-10-11-13(2)14(15)12-19(16,17-3)18-4/h13H,5-8,11-12H2,1-4H3
InChI Key:
LZTJDAJVXJVLKL-UHFFFAOYSA-N
SMILES:
CCCCCC#CCC(C(=O)CP(=O)(OC)OC)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.149g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.324g/mol
Monoisotopic Mass:
288.149g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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