Methyl 5-phosphonopentanoate - CAS 1263034-13-4
Catalog: |
BB043060 |
Product Name: |
Methyl 5-phosphonopentanoate |
CAS: |
1263034-13-4 |
Synonyms: |
CTK6J2425; AKOS006284237 |
IUPAC Name: | (5-methoxy-5-oxopentyl)phosphonic acid |
Description: | Methyl 5-phosphonopentanoate (CAS# 1263034-13-4 ) is a useful research chemical. |
Molecular Weight: | 196.14 |
Molecular Formula: | C6H13O5P |
Canonical SMILES: | COC(=O)CCCCP(=O)(O)O |
InChI: | InChI=1S/C6H13O5P/c1-11-6(7)4-2-3-5-12(8,9)10/h2-5H2,1H3,(H2,8,9,10) |
InChI Key: | XOSOVFXAFVIERT-UHFFFAOYSA-N |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.05006051 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.05006051 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 83.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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