Triisopropyl phosphate

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Catalog Number
ACM513020-1
Product Name
Triisopropyl phosphate
Structure
Structure
CAS
513-02-0
Category
Heterocyclic Organic Compound
Synonyms
Phosphoric acid, tris(1-methylethyl) ester
IUPAC Name
Tripropan-2-yl phosphate
Molecular Weight
224.23
Molecular Formula
C9H21O4P
Canonical SMILES
CC(C)OP(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3
InChI Key
OXFUXNFMHFCELM-UHFFFAOYSA-N
Boiling Point
224 °C
Flash Point
23 °C
Density
0.970 g/mL
Complexity
168
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
224.11774614
Formal Charge
0
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
224.11774614
Rotatable Bond Count
6
Topological Polar Surface Area
44.8 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
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