3-CARBOXYPHENYLPHOSPHONIC ACID - CAS 14899-31-1
Catalog: |
BB043406 |
Product Name: |
3-CARBOXYPHENYLPHOSPHONIC ACID |
CAS: |
14899-31-1 |
Synonyms: |
3-Phosphono-benzoic acid; NSC666474; Benzoic acid,3-phosphono- |
IUPAC Name: | 3-phosphonobenzoic acid |
Description: | 3-CARBOXYPHENYLPHOSPHONIC ACID (CAS# 14899-31-1 ) is a useful research chemical. |
Molecular Weight: | 202.10 |
Molecular Formula: | C7H7O5P |
Canonical SMILES: | C1=CC(=CC(=C1)P(=O)(O)O)C(=O)O |
InChI: | InChI=1S/C7H7O5P/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12) |
InChI Key: | ZKKXCRILZNBJJM-UHFFFAOYSA-N |
Boiling Point: | 518.1 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.65 g/cm3 |
Storage: | Room temperature. |
MDL: | MFCD00159422 |
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: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.00311032 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.00311032 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 94.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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