| CAS Number | 41255-87-2 |
| Catalog Number | AG019NAC(AGN-PC-003FNK) |
| Chemical Name | 3-(2-methylpropoxy)propanoic acid |
| IUPAC Name | 3-(2-methylpropoxy)propanoic acid |
| InChI | InChI=1S/C7H14O3/c1-6(2)5-10-4-3-7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| InChI Key | QMMGWVCCHWHWEF-UHFFFAOYSA-N |
| MDL Number | MFCD09950088 |
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.1843 |
| SMILES | CC(COCCC(O)=O)C |
| Synonyms | 3-(2-methylpropoxy)propanoic acid,
3-isobutoxypropanoic acid,
41255-87-2,
AC1Q1PTQ,
SCHEMBL1774798,
CTK6A9098,
ZINC19518202,
AKOS000195734,
MCULE-6429199224,
NE42021,
EN300-39811,
Z1238477862,
|
| Complexity | 99 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.186g/mol |
| Monoisotopic Mass | 146.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number