4-Phosphonobutyric acid - CAS 4378-43-2
Catalog: |
BB043718 |
Product Name: |
4-Phosphonobutyric acid |
CAS: |
4378-43-2 |
Synonyms: |
4-PHOSPHONOBUTANOIC ACID; 4-PHOSPHONOBUTYRIC ACID; 4-PHOSPHONOBUTYRIC ACID: TECH.; 4-Phosphonobutanoic acid, 98 % |
IUPAC Name: | 4-phosphonobutanoic acid |
Description: | 4-Phosphonobutyric acid (CAS# 4378-43-2 ) is a useful research chemical. |
Molecular Weight: | 168.09 |
Molecular Formula: | C4H9O5P |
Canonical SMILES: | C(CC(=O)O)CP(=O)(O)O |
InChI: | InChI=1S/C4H9O5P/c5-4(6)2-1-3-10(7,8)9/h1-3H2,(H,5,6)(H2,7,8,9) |
InChI Key: | UYRFPODVSLYSCO-UHFFFAOYSA-N |
Melting Point: | 125-129 °C |
Density: | 1.551 g/cm3 |
Storage: | Room temperature. |
MDL: | MFCD00041414 |
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: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.01876038 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.01876038 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 94.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.7 |
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