1-Carboxy-2-methylpropylphosphonic acid - CAS 1263034-08-7
Catalog: |
BB043056 |
Product Name: |
1-Carboxy-2-methylpropylphosphonic acid |
CAS: |
1263034-08-7 |
Synonyms: |
CTK6A4168; AKOS006287327; Butanoic acid, 3-methyl-2-phosphono- |
IUPAC Name: | 3-methyl-2-phosphonobutanoic acid |
Description: | 1-Carboxy-2-methylpropylphosphonic acid (CAS# 1263034-08-7 ) is a useful research chemical. |
Molecular Weight: | 182.11 |
Molecular Formula: | C5H11O5P |
Canonical SMILES: | CC(C)C(C(=O)O)P(=O)(O)O |
InChI: | InChI=1S/C5H11O5P/c1-3(2)4(5(6)7)11(8,9)10/h3-4H,1-2H3,(H,6,7)(H2,8,9,10) |
InChI Key: | TYYRGQPQSLVCJY-UHFFFAOYSA-N |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.03441044 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.03441044 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 94.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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