Dioctylphosphonoacetic acid - CAS 1536463-80-5
Catalog: |
BB043092 |
Product Name: |
Dioctylphosphonoacetic acid |
CAS: |
1536463-80-5 |
Synonyms: |
Acetic acid, 2-[bis(octyloxy)phosphinyl]- |
IUPAC Name: | 2-dioctoxyphosphorylacetic acid |
Description: | Dioctylphosphonoacetic acid (CAS# 1536463-80-5 ) is a useful research chemical. |
Molecular Weight: | 364.50 |
Molecular Formula: | C18H37O5P |
Canonical SMILES: | CCCCCCCCOP(=O)(CC(=O)O)OCCCCCCCC |
InChI: | InChI=1S/C18H37O5P/c1-3-5-7-9-11-13-15-22-24(21,17-18(19)20)23-16-14-12-10-8-6-4-2/h3-17H2,1-2H3,(H,19,20) |
InChI Key: | HVLGJIGOKQDGIZ-UHFFFAOYSA-N |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 364.23786127 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 364.23786127 |
Rotatable Bond Count: | 18 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.9 |
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