2-Phosphonobutyric acid - CAS 4378-40-9
Catalog: |
BB043717 |
Product Name: |
2-Phosphonobutyric acid |
CAS: |
4378-40-9 |
Synonyms: |
2-PHOSPHONOBUTANOIC ACID; 2-PHOSPHONOBUTYRIC ACID; 2-Phosphonobutyricacid,97%; 2-Phosphonobutanoic acid, 97 % |
IUPAC Name: | 2-phosphonobutanoic acid |
Description: | 2-Phosphonobutyric acid (CAS# 4378-40-9 ) is a useful research chemical. |
Molecular Weight: | 168.09 |
Molecular Formula: | C4H9O5P |
Canonical SMILES: | CCC(C(=O)O)P(=O)(O)O |
InChI: | InChI=1S/C4H9O5P/c1-2-3(4(5)6)10(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9) |
InChI Key: | PWSXRGRLZKVHLW-UHFFFAOYSA-N |
Purity: | 97 % |
Complexity: | 171 |
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: | 3 |
Topological Polar Surface Area: | 94.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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