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88584-98-9 | Phosphonic acid, [3-(acetyloxy)propyl]-, dibutyl ester
CAS No: 88584-98-9 Catalog No: AG004DHW MDL No:
Product Description
Catalog Number:
AG004DHW
Chemical Name:
Phosphonic acid, [3-(acetyloxy)propyl]-, dibutyl ester
CAS Number:
88584-98-9
Molecular Formula:
C13H27O5P
Molecular Weight:
294.3242
IUPAC Name:
3-dibutoxyphosphorylpropyl acetate
InChI:
InChI=1S/C13H27O5P/c1-4-6-10-17-19(15,18-11-7-5-2)12-8-9-16-13(3)14/h4-12H2,1-3H3
InChI Key:
PGGIXPOXFAFKPW-UHFFFAOYSA-N
SMILES:
CCCCOP(=O)(OCCCC)CCCOC(=O)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.16g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.328g/mol
Monoisotopic Mass:
294.16g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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