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128589-10-6 | Phosphonic acid, (2-hydroxypentyl)-, diethyl ester (9CI)
CAS No: 128589-10-6 Catalog No: AG000Y7E MDL No:
Product Description
Catalog Number:
AG000Y7E
Chemical Name:
Phosphonic acid, (2-hydroxypentyl)-, diethyl ester (9CI)
CAS Number:
128589-10-6
Molecular Formula:
C9H21O4P
Molecular Weight:
224.2344
IUPAC Name:
1-diethoxyphosphorylpentan-2-ol
InChI:
InChI=1S/C9H21O4P/c1-4-7-9(10)8-14(11,12-5-2)13-6-3/h9-10H,4-8H2,1-3H3
InChI Key:
DIMAZPVJGJKFMN-UHFFFAOYSA-N
SMILES:
CCCC(CP(=O)(OCC)OCC)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.118g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.237g/mol
Monoisotopic Mass:
224.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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