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89499-72-9 | Phosphonic acid, (2-oxo-2-phenylethyl)-, bis(2,2-dimethylpropyl) ester
CAS No: 89499-72-9 Catalog No: AG0041W5 MDL No:
Product Description
Catalog Number:
AG0041W5
Chemical Name:
Phosphonic acid, (2-oxo-2-phenylethyl)-, bis(2,2-dimethylpropyl) ester
CAS Number:
89499-72-9
Molecular Formula:
C18H29O4P
Molecular Weight:
340.3942
IUPAC Name:
2-[bis(2,2-dimethylpropoxy)phosphoryl]-1-phenylethanone
InChI:
InChI=1S/C18H29O4P/c1-17(2,3)13-21-23(20,22-14-18(4,5)6)12-16(19)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3
InChI Key:
LOZGRLKVWXTXNG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CP(=O)(OCC(C)(C)C)OCC(C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.18g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.4g/mol
Monoisotopic Mass:
340.18g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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