DIMETHYL(3-METHYLBENZYL)PHOSPHONATE - CAS 17105-63-4
Catalog: |
BB043441 |
Product Name: |
DIMETHYL(3-METHYLBENZYL)PHOSPHONATE |
CAS: |
17105-63-4 |
Synonyms: |
Dimethyl [(3-methylphenyl)methyl]phosphonate; Dimethyl 3-methylbenzylphosphonate |
IUPAC Name: | 1-(dimethoxyphosphorylmethyl)-3-methylbenzene |
Description: | DIMETHYL(3-METHYLBENZYL)PHOSPHONATE (CAS# 17105-63-4 ) is a useful research chemical. |
Molecular Weight: | 214.20 |
Molecular Formula: | C10H15O3P |
Canonical SMILES: | CC1=CC(=CC=C1)CP(=O)(OC)OC |
InChI: | InChI=1S/C10H15O3P/c1-9-5-4-6-10(7-9)8-14(11,12-2)13-3/h4-7H,8H2,1-3H3 |
InChI Key: | FLXIYHKZQFSPCV-UHFFFAOYSA-N |
Purity: | 98 % |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.07588133 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.07588133 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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