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89197-75-1 | Phosphoric acid, dibutyl 4-hydroxybutyl ester
CAS No: 89197-75-1 Catalog No: AG003VWC MDL No:
Product Description
Catalog Number:
AG003VWC
Chemical Name:
Phosphoric acid, dibutyl 4-hydroxybutyl ester
CAS Number:
89197-75-1
Molecular Formula:
C12H27O5P
Molecular Weight:
282.3135
IUPAC Name:
dibutyl 4-hydroxybutyl phosphate
InChI:
InChI=1S/C12H27O5P/c1-3-5-10-15-18(14,16-11-6-4-2)17-12-8-7-9-13/h13H,3-12H2,1-2H3
InChI Key:
GPZYWSLOBYLLQD-UHFFFAOYSA-N
SMILES:
CCCCOP(=O)(OCCCC)OCCCCO
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.16g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.317g/mol
Monoisotopic Mass:
282.16g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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