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16456-56-7 | Phosphonic acid, monobutyl ester
CAS No: 16456-56-7 Catalog No: AG001UXW MDL No:
Product Description
Catalog Number:
AG001UXW
Chemical Name:
Phosphonic acid, monobutyl ester
CAS Number:
16456-56-7
Molecular Formula:
C4H10O3P-
Molecular Weight:
137.0942
IUPAC Name:
butoxy-hydroxy-oxophosphanium
InChI:
InChI=1S/C4H9O3P/c1-2-3-4-7-8(5)6/h2-4H2,1H3/p+1
InChI Key:
CERDIVAFXRCORQ-UHFFFAOYSA-O
SMILES:
[O-]P(=O)OCCCC
EC Number:
240-508-1
Properties
Complexity:
73.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.037g/mol
Formal Charge:
1
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.095g/mol
Monoisotopic Mass:
137.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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