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89197-81-9 | Phosphoric acid, monobutyl mono(3-hydroxybutyl) ester
CAS No: 89197-81-9 Catalog No: AG003VME MDL No:
Product Description
Catalog Number:
AG003VME
Chemical Name:
Phosphoric acid, monobutyl mono(3-hydroxybutyl) ester
CAS Number:
89197-81-9
Molecular Formula:
C8H18O5P-
Molecular Weight:
225.1993
IUPAC Name:
butyl 3-hydroxybutyl phosphate
InChI:
InChI=1S/C8H19O5P/c1-3-4-6-12-14(10,11)13-7-5-8(2)9/h8-9H,3-7H2,1-2H3,(H,10,11)/p-1
InChI Key:
UYLSKDAJRYEAIB-UHFFFAOYSA-M
SMILES:
CCCCOP(=O)(OCCC(O)C)[O-]
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.089g/mol
Formal Charge:
-1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.201g/mol
Monoisotopic Mass:
225.089g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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