(4-METHYLBENZYL)PHOSPHONIC ACID - CAS 13081-74-8
Catalog: |
BB043380 |
Product Name: |
(4-METHYLBENZYL)PHOSPHONIC ACID |
CAS: |
13081-74-8 |
Synonyms: |
(4-Methyl-benzyl)-phosphonic acid; Phosphonic acid,P-[(4-methylphenyl)methyl]- |
IUPAC Name: | (4-methylphenyl)methylphosphonic acid |
Description: | (4-METHYLBENZYL)PHOSPHONIC ACID (CAS# 13081-74-8 ) is a useful research chemical. |
Molecular Weight: | 186.14 |
Molecular Formula: | C8H11O3P |
Canonical SMILES: | CC1=CC=C(C=C1)CP(=O)(O)O |
InChI: | InChI=1S/C8H11O3P/c1-7-2-4-8(5-3-7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11) |
InChI Key: | HIIOYVOBADMCAS-UHFFFAOYSA-N |
Purity: | 98 % |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04458121 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04458121 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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