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89222-49-1 | Phosphonic acid, [3-(heptylthio)-1-hydroxypropyl]-, diethyl ester
CAS No: 89222-49-1 Catalog No: AG0043LN MDL No:
Product Description
Catalog Number:
AG0043LN
Chemical Name:
Phosphonic acid, [3-(heptylthio)-1-hydroxypropyl]-, diethyl ester
CAS Number:
89222-49-1
Molecular Formula:
C14H31O4PS
Molecular Weight:
326.4323
IUPAC Name:
1-diethoxyphosphoryl-3-heptylsulfanylpropan-1-ol
InChI:
InChI=1S/C14H31O4PS/c1-4-7-8-9-10-12-20-13-11-14(15)19(16,17-5-2)18-6-3/h14-15H,4-13H2,1-3H3
InChI Key:
XVJZXPYGYHZSIP-UHFFFAOYSA-N
SMILES:
CCCCCCCSCCC(P(=O)(OCC)OCC)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.432g/mol
Monoisotopic Mass:
326.168g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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