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113612-56-9 | Phosphonic acid, (2,3-dihydroxypropyl)-, bis(1-methylethyl) ester (9CI)
CAS No: 113612-56-9 Catalog No: AG00094L MDL No:
Product Description
Catalog Number:
AG00094L
Chemical Name:
Phosphonic acid, (2,3-dihydroxypropyl)-, bis(1-methylethyl) ester (9CI)
CAS Number:
113612-56-9
Molecular Formula:
C9H21O5P
Molecular Weight:
240.2338
IUPAC Name:
3-di(propan-2-yloxy)phosphorylpropane-1,2-diol
InChI:
InChI=1S/C9H21O5P/c1-7(2)13-15(12,14-8(3)4)6-9(11)5-10/h7-11H,5-6H2,1-4H3
InChI Key:
LGSKXNQKTUSZQG-UHFFFAOYSA-N
SMILES:
OCC(CP(=O)(OC(C)C)OC(C)C)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.113g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.236g/mol
Monoisotopic Mass:
240.113g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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