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13088-89-6 | Phosphonothioic acid, methyl-, O-ethyl S-nonyl ester (7CI,8CI,9CI)
CAS No: 13088-89-6 Catalog No: AG000V2H MDL No:
Product Description
Catalog Number:
AG000V2H
Chemical Name:
Phosphonothioic acid, methyl-, O-ethyl S-nonyl ester (7CI,8CI,9CI)
CAS Number:
13088-89-6
Molecular Formula:
C12H27O2PS
Molecular Weight:
266.3803
IUPAC Name:
1-[ethoxy(methyl)phosphoryl]sulfanylnonane
InChI:
InChI=1S/C12H27O2PS/c1-4-6-7-8-9-10-11-12-16-15(3,13)14-5-2/h4-12H2,1-3H3
InChI Key:
AMXPHGZPXNYMOA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCSP(=O)(OCC)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.38g/mol
Monoisotopic Mass:
266.147g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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