Phosphonic acid,(2-phenylethyl)- (9CI) - CAS 4672-30-4
Catalog: |
BB043728 |
Product Name: |
Phosphonic acid,(2-phenylethyl)- (9CI) |
CAS: |
4672-30-4 |
Synonyms: |
(2-phenylethyl)phosphonic acid; Phenethyl-phosphonic acid; 2-Phenethyl-phosphonic acid |
IUPAC Name: | 2-phenylethylphosphonic acid |
Description: | Phosphonic acid,(2-phenylethyl)- (9CI) (CAS# 4672-30-4 ) is a useful research chemical. |
Molecular Weight: | 186.14 |
Molecular Formula: | C8H11O3P |
Canonical SMILES: | C1=CC=C(C=C1)CCP(=O)(O)O |
InChI: | InChI=1S/C8H11O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11) |
InChI Key: | BFDYSJCMAFSRDH-UHFFFAOYSA-N |
Melting Point: | 136-140 °C |
Purity: | 98 % |
Density: | 1.316 g/cm3 |
Storage: | Room temperature. |
MDL: | MFCD00485102 |
Complexity: | 169 |
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: | 3 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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