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84015-55-4 | Dodecanoic acid,2-hydroxy-3-(phosphonooxy)propyl ester
CAS No: 84015-55-4 Catalog No: AG004U8B MDL No:
Product Description
Catalog Number:
AG004U8B
Chemical Name:
Dodecanoic acid,2-hydroxy-3-(phosphonooxy)propyl ester
CAS Number:
84015-55-4
Molecular Formula:
C15H31O7P
Molecular Weight:
354.3762
IUPAC Name:
(2-hydroxy-3-phosphonooxypropyl) dodecanoate
InChI:
InChI=1S/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)21-12-14(16)13-22-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20)
InChI Key:
STTKJLVEXMKLNA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
EC Number:
281-709-4
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.181g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
354.38g/mol
Monoisotopic Mass:
354.181g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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