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85187-13-9 | Phosphinic acid,methyl-, hexyl ester (6CI,9CI)
CAS No: 85187-13-9 Catalog No: AG004QO0 MDL No:
Product Description
Catalog Number:
AG004QO0
Chemical Name:
Phosphinic acid,methyl-, hexyl ester (6CI,9CI)
CAS Number:
85187-13-9
Molecular Formula:
C7H17O2P
Molecular Weight:
164.1824
IUPAC Name:
hexoxy-methyl-oxophosphanium
InChI:
InChI=1S/C7H16O2P/c1-3-4-5-6-7-9-10(2)8/h3-7H2,1-2H3/q+1
InChI Key:
PRVRSWUYECZVOK-UHFFFAOYSA-N
SMILES:
CCCCCCOP(=O)C
EC Number:
286-100-7
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.089g/mol
Formal Charge:
1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.177g/mol
Monoisotopic Mass:
163.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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