| CAS Number | 25234-25-7 |
| Catalog Number | AG007O0T(AGN-PC-0WNYSR) |
| Chemical Name | 2-Ethyloctanoicacid |
| EC Number | 246-743-6 |
| IUPAC Name | 2-ethyloctanoic acid |
| InChI | InChI=1S/C10H20O2/c1-3-5-6-7-8-9(4-2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12) |
| InChI Key | DMUXSGAKEXSNGN-UHFFFAOYSA-N |
| MDL Number | MFCD02258649 |
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.2646 |
| SMILES | C(C)C(C(=O)O)CCCCCC |
| Synonyms | 2-Ethyloctanoic acid,
25234-25-7,
Octanoic acid, 2-ethyl-,
2-ETHYLOCTANOICACID,
EINECS 246-743-6,
AC1L3LVP,
AC1Q5RZ5,
SCHEMBL59955,
CTK1A4981,
AKOS010363955,
MCULE-6377253083,
NE31224,
EN300-79755,
Z1259339753,
CID91342,
AR-1E1654,
C10-H20-O2,
25680-07-3,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.268g/mol |
| Monoisotopic Mass | 172.146g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precuationary statements
|
|
|
Siginal words
|
|
Certificate of Analysis
Lot Number