| CAS Number | 1035897-58-5 |
| Catalog Number | AG01BXGY |
| Chemical Name | cis-Methyl 3-hydroxy-1-phenylcyclobutanecarboxylate |
| IUPAC Name | methyl 3-hydroxy-1-phenylcyclobutane-1-carboxylate |
| InChI | InChI=1S/C12H14O3/c1-15-11(14)12(7-10(13)8-12)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3 |
| InChI Key | HGULTECVHGYPRC-UHFFFAOYSA-N |
| MDL Number | MFCD30487800 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | O=C([C@@]1(C2=CC=CC=C2)C[C@@H](O)C1)OC |
| Synonyms | methyl -3-hydroxy-1-phenylcyclobutane-1-carboxylate,
1035897-58-5,
Methyl 3-hydroxy-1-phenylcyclobutane-1-carboxylate,
2090150-31-3,
ZINC536949663,
1-Phenyl-3alpha-hydroxycyclobutane-1alpha-carboxylic acid methyl ester,
1-Phenyl-3alpha-hydroxycyclobutane-1beta-carboxylic acid methyl ester,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number