| CAS Number | 114012-39-4 |
| Catalog Number | AG000AAE(AGN-PC-0006G0) |
| Chemical Name | 3-Isopropyloxetane-3-carboxylic acid |
| IUPAC Name | 3-propan-2-yloxetane-3-carboxylic acid |
| InChI | InChI=1S/C7H12O3/c1-5(2)7(6(8)9)3-10-4-7/h5H,3-4H2,1-2H3,(H,8,9) |
| InChI Key | XEZZNVDAVOQZKD-UHFFFAOYSA-N |
| MDL Number | MFCD19231764 |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| SMILES | CC(C1(C(O)=O)COC1)C |
| Synonyms | 114012-39-4,
3-Oxetanecarboxylic acid, 3-(1-methylethyl)-,
3-ISOPROPYLOXETANE-3-CARBOXYLIC ACID,
ACMC-20mjje,
SCHEMBL9804360,
CTK0C8099,
DTXSID30554642,
ZINC34211661,
AKOS006383577,
3-(Propan-2-yl)oxetane-3-carboxylic acid,
3-propan-2-yloxetane-3-carboxylic acid,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.17g/mol |
| Monoisotopic Mass | 144.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number