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137393-19-2 | Phosphonic acid, methyl-, mono[[2-(hexadecyloxy)phenyl]methyl] ester (9CI)
CAS No: 137393-19-2 Catalog No: AG001390 MDL No:
Product Description
Catalog Number:
AG001390
Chemical Name:
Phosphonic acid, methyl-, mono[[2-(hexadecyloxy)phenyl]methyl] ester (9CI)
CAS Number:
137393-19-2
Molecular Formula:
C24H42O4P-
Molecular Weight:
425.5616
IUPAC Name:
(2-hexadecoxyphenyl)methoxy-methylphosphinate
InChI:
InChI=1S/C24H43O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-27-24-20-17-16-19-23(24)22-28-29(2,25)26/h16-17,19-20H,3-15,18,21-22H2,1-2H3,(H,25,26)/p-1
InChI Key:
PTBJKELHQVQIGC-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCOc1ccccc1COP(=O)(C)[O-]
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.282g/mol
Formal Charge:
-1
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.57g/mol
Monoisotopic Mass:
425.282g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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