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113705-28-5 | Phosphonic acid, hexadecyl-, methyl phenyl ester (9CI)
CAS No: 113705-28-5 Catalog No: AG0009EB MDL No:
Product Description
Catalog Number:
AG0009EB
Chemical Name:
Phosphonic acid, hexadecyl-, methyl phenyl ester (9CI)
CAS Number:
113705-28-5
Molecular Formula:
C23H41O3P
Molecular Weight:
396.5436
IUPAC Name:
[hexadecyl(methoxy)phosphoryl]oxybenzene
InChI:
InChI=1S/C23H41O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(24,25-2)26-23-20-17-16-18-21-23/h16-18,20-21H,3-15,19,22H2,1-2H3
InChI Key:
KGTWLQDSXWTXGS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCP(=O)(Oc1ccccc1)OC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.279g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.552g/mol
Monoisotopic Mass:
396.279g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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