| CAS Number | 4721-16-8 |
| Catalog Number | AG00DKJE(AGN-PC-0L1C0M) |
| Chemical Name | Heptylphosphonic Acid |
| IUPAC Name | heptylphosphonic acid |
| InChI | InChI=1S/C7H17O3P/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3,(H2,8,9,10) |
| InChI Key | VAJFLSRDMGNZJY-UHFFFAOYSA-N |
| MDL Number | MFCD00015840 |
| Molecular Formula | C7H17O3P |
| Molecular Weight | 180.1818 |
| SMILES | CCCCCCCP(O)(O)=O |
| Synonyms | Heptylphosphonic Acid,
4721-16-8,
n-Heptylphosphonic acid,
n-heptanephosphonic acid,
AC1MZC67,
SCHEMBL700501,
ZINC2146815,
MFCD00015840,
SBB057478,
AKOS006280821,
MCULE-4624203907,
ST51003155,
CID3870222,
H1535,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.184g/mol |
| Monoisotopic Mass | 180.092g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number