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88580-34-1 | Phosphonic acid, 2-(pentadecyloxy)-1,3-propanediyl ester
CAS No: 88580-34-1 Catalog No: AG004DID MDL No:
Product Description
Catalog Number:
AG004DID
Chemical Name:
Phosphonic acid, 2-(pentadecyloxy)-1,3-propanediyl ester
CAS Number:
88580-34-1
Molecular Formula:
C18H37O4P
Molecular Weight:
348.4577
IUPAC Name:
5-pentadecoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide
InChI:
InChI=1S/C18H36O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18-16-21-23(19)22-17-18/h18H,2-17H2,1H3/q+1
InChI Key:
YTSRVKCCKVNDHW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCOC1COP(=O)OC1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.235g/mol
Formal Charge:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.456g/mol
Monoisotopic Mass:
347.235g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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