| CAS Number | 875231-56-4 |
| Catalog Number | AG019Y07(AGN-PC-0WOCT4) |
| Chemical Name | 2-(3-methylbutoxy)propanoic acid |
| IUPAC Name | 2-(3-methylbutoxy)propanoic acid |
| InChI | InChI=1S/C8H16O3/c1-6(2)4-5-11-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10) |
| InChI Key | VQNVWLSAOXQIGS-UHFFFAOYSA-N |
| MDL Number | MFCD09936320 |
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.2108 |
| SMILES | CC(CCOC(C(O)=O)C)C |
| Synonyms | 2-(3-methylbutoxy)propanoic acid,
875231-56-4,
AC1Q1PGJ,
CTK6A3472,
AKOS000176668,
AKOS016903973,
MCULE-3181346418,
NE35412,
EN300-56540,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.213g/mol |
| Monoisotopic Mass | 160.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number