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115989-10-1 | Phosphonic acid, P-(hydroxymethyl)-, bis(1,1-dimethylethyl) ester
CAS No: 115989-10-1 Catalog No: AG000HEB MDL No:
Product Description
Catalog Number:
AG000HEB
Chemical Name:
Phosphonic acid, P-(hydroxymethyl)-, bis(1,1-dimethylethyl) ester
CAS Number:
115989-10-1
Molecular Formula:
C9H21O4P
Molecular Weight:
224.2344
IUPAC Name:
bis[(2-methylpropan-2-yl)oxy]phosphorylmethanol
InChI:
InChI=1S/C9H21O4P/c1-8(2,3)12-14(11,7-10)13-9(4,5)6/h10H,7H2,1-6H3
InChI Key:
AZIHZCZXDHWAOY-UHFFFAOYSA-N
SMILES:
OCP(=O)(OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.118g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.237g/mol
Monoisotopic Mass:
224.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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