| CAS Number | 41255-85-0 |
| Catalog Number | AG019MBO(AGN-PC-003FNJ) |
| Chemical Name | 3-(Propan-2-yloxy)propanoic acid |
| IUPAC Name | 3-propan-2-yloxypropanoic acid |
| InChI | InChI=1S/C6H12O3/c1-5(2)9-4-3-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChI Key | DVNBASXKSCNLKQ-UHFFFAOYSA-N |
| MDL Number | MFCD09931386 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | CC(C)OCCC(=O)O |
| Synonyms | 3-(propan-2-yloxy)propanoic acid,
41255-85-0,
3-isopropoxypropanoic acid,
AC1Q1QRX,
3-isopropoxy-propionic acid,
SCHEMBL261295,
CTK6B1054,
DTXSID20567261,
MFCD09931386,
ZINC12481080,
3-[(Propan-2-yl)oxy]propanoic acid,
AKOS000170363,
Propanoic acid, 3-(1-methylethoxy)-,
MCULE-6533666992,
NE24431,
BS-13050,
EN300-35692,
Z1235963268,
Propanoicacid,3-(1-methylethoxy)-,
|
| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.159g/mol |
| Monoisotopic Mass | 132.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number