| CAS Number | 27697-61-6 |
| Catalog Number | AG00I585(AGN-PC-0WOHR2) |
| Chemical Name | Ethyl 3-(hydroxymethyl)cyclobutane-1-carboxylate |
| IUPAC Name | ethyl 3-(hydroxymethyl)cyclobutane-1-carboxylate |
| InChI | InChI=1S/C8H14O3/c1-2-11-8(10)7-3-6(4-7)5-9/h6-7,9H,2-5H2,1H3 |
| InChI Key | MZSYECJIYVQOQK-UHFFFAOYSA-N |
| MDL Number | MFCD28404551 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | O=C(C1CC(CO)C1)OCC |
| Synonyms | ethyl 3-(hydroxymethyl)cyclobutane-1-carboxylate,
27697-61-6,
Ethyl trans-3-(hydroxymethyl)cyclobutane-1-carboxylate,
ethyl (1r,3r)-3-(hydroxymethyl)cyclobutane-1-carboxylate,
1918146-62-9,
SCHEMBL14127654,
AMCB00009,
AMCB00015,
MZSYECJIYVQOQK-UHFFFAOYSA-N,
ZINC220599786,
ZINC230400632,
ZINC263583768,
AM85698,
AM85998,
ethyl 3-(hydroxymethyl)cyclobutanecarboxylate,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.197g/mol |
| Monoisotopic Mass | 158.094g/mol |
| Rotatable Bond Count | 4 |
| 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