m-Xylylenediphosphonic Acid - CAS 144052-40-4
Catalog: |
BB043082 |
Product Name: |
m-Xylylenediphosphonic Acid |
CAS: |
144052-40-4 |
Synonyms: |
CHEMBL147362; m-Xylylenebisphosphonic acid; SCHEMBL8040890 |
IUPAC Name: | [3-(phosphonomethyl)phenyl]methylphosphonic acid |
Description: | m-Xylylenediphosphonic Acid (CAS# 144052-40-4 ) is a useful research chemical. |
Molecular Weight: | 266.12 |
Molecular Formula: | C8H12O6P2 |
Canonical SMILES: | C1=CC(=CC(=C1)CP(=O)(O)O)CP(=O)(O)O |
InChI: | InChI=1S/C8H12O6P2/c9-15(10,11)5-7-2-1-3-8(4-7)6-16(12,13)14/h1-4H,5-6H2,(H2,9,10,11)(H2,12,13,14) |
InChI Key: | PYWZCUXISXXGMI-UHFFFAOYSA-N |
Storage: | Room temperature. |
MDL: | MFCD22200402 |
GHS Hazard Statement: | H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 |
Signal Word: | Danger |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.01091209 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.01091209 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.1 |
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