4-Methoxyphenylphosphonic acid

C₇H₉O₄PCAS 21778-19-8188.12 g/mol

Open in Covalent MOL file

Ether Phosphonate

Properties

Molecular formula: C₇H₉O₄P
Molar mass: 188.12 g/mol
Exact mass: 188.0238 Da
logP: 0.50Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P501

Identifiers

CAS number

21778-19-8

SMILES

COC1=CC=C(C=C1)P(=O)(O)O

InChIKey

SCMAYTUWDLAAAO-UHFFFAOYSA-N

InChI

InChI=1S/C7H9O4P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Methoxyphenylphosphonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dimethoxybenzene150-78-750 % similar Phenylphosphonic acid1571-33-150 % similar 4-Methoxyphenylphosphonic acid diethyl ester3762-33-249 % similar Lawesson's reagent19172-47-545 % similar 4-Methoxyphenol150-76-545 % similar Tris(4-methoxyphenyl)phosphine855-38-945 % similar 4,4'-Dimethoxybiphenyl2132-80-144 % similar 4-Methylanisole104-93-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook