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1832-68-4 | Phosphonic acid, P-methyl-, dioctyl ester
CAS No: 1832-68-4 Catalog No: AG0027E9 MDL No:
Product Description
Catalog Number:
AG0027E9
Chemical Name:
Phosphonic acid, P-methyl-, dioctyl ester
CAS Number:
1832-68-4
Molecular Formula:
C17H37O3P
Molecular Weight:
320.4476
IUPAC Name:
1-[methyl(octoxy)phosphoryl]oxyoctane
InChI:
InChI=1S/C17H37O3P/c1-4-6-8-10-12-14-16-19-21(3,18)20-17-15-13-11-9-7-5-2/h4-17H2,1-3H3
InChI Key:
QNNWHJRQILFWHD-UHFFFAOYSA-N
SMILES:
CCCCCCCCOP(=O)(OCCCCCCCC)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.248g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.454g/mol
Monoisotopic Mass:
320.248g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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