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117968-19-1 | Phosphonic acid, P-(1-hydroxyhexyl)-, diethyl ester
CAS No: 117968-19-1 Catalog No: AG000I8E MDL No:
Product Description
Catalog Number:
AG000I8E
Chemical Name:
Phosphonic acid, P-(1-hydroxyhexyl)-, diethyl ester
CAS Number:
117968-19-1
Molecular Formula:
C10H23O4P
Molecular Weight:
238.2610
IUPAC Name:
1-diethoxyphosphorylhexan-1-ol
InChI:
InChI=1S/C10H23O4P/c1-4-7-8-9-10(11)15(12,13-5-2)14-6-3/h10-11H,4-9H2,1-3H3
InChI Key:
HNOHFXBHRQQEDX-UHFFFAOYSA-N
SMILES:
CCCCCC(P(=O)(OCC)OCC)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.133g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.264g/mol
Monoisotopic Mass:
238.133g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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