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2087-29-8 | Phosphonic acid, methyl pentyl ester
CAS No: 2087-29-8 Catalog No: AG002JU7 MDL No:
Product Description
Catalog Number:
AG002JU7
Chemical Name:
Phosphonic acid, methyl pentyl ester
CAS Number:
2087-29-8
Molecular Formula:
C6H15O3P
Molecular Weight:
166.1553
IUPAC Name:
methoxy-oxo-pentoxyphosphanium
InChI:
InChI=1S/C6H14O3P/c1-3-4-5-6-9-10(7)8-2/h3-6H2,1-2H3/q+1
InChI Key:
IEGUUOAIPCJWGB-UHFFFAOYSA-N
SMILES:
CCCCCOP(=O)OC
Properties
Complexity:
95
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.068g/mol
Formal Charge:
1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.149g/mol
Monoisotopic Mass:
165.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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