4-Hydroxybenzylphosphonic acid - CAS 90001-07-3
Catalog: |
BB039728 |
Product Name: |
4-Hydroxybenzylphosphonic acid |
CAS: |
90001-07-3 |
Synonyms: |
(4-hydroxyphenyl)methylphosphonic acid |
IUPAC Name: | (4-hydroxyphenyl)methylphosphonic acid |
Description: | 4-Hydroxybenzylphosphonic acid (CAS# 90001-07-3) is a useful research chemical. |
Molecular Weight: | 188.12 |
Molecular Formula: | C7H9O4P |
Canonical SMILES: | C1=CC(=CC=C1CP(=O)(O)O)O |
InChI: | InChI=1S/C7H9O4P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4,8H,5H2,(H2,9,10,11) |
InChI Key: | ZHBRSHSRMYZHLS-UHFFFAOYSA-N |
Purity: | 97 % |
LogP: | 1.06990 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.02384576 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.02384576 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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