| CAS Number | 40628-41-9 |
| Catalog Number | AG00CSPW(AGN-PC-0084PN) |
| Chemical Name | 1-Cyclobutene-1-carboxylic acid methyl ester |
| IUPAC Name | methyl cyclobutene-1-carboxylate |
| InChI | InChI=1S/C6H8O2/c1-8-6(7)5-3-2-4-5/h3H,2,4H2,1H3 |
| InChI Key | JMIOIWRHSVRPJX-UHFFFAOYSA-N |
| MDL Number | MFCD13192489 |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.1265 |
| SMILES | COC(C1CCC=1)=O |
| Synonyms | 40628-41-9,
1-Cyclobutene-1-carboxylic acid methyl ester,
methyl cyclobut-1-ene-1-carboxylate,
Methyl Cyclobutene-1-carboxylate,
SCHEMBL43992,
methyl 1-cyclobutene carboxylate,
CTK8I6204,
methyl cyclobutene-1-car-boxylate,
JMIOIWRHSVRPJX-UHFFFAOYSA-N,
methyl 1-cyclobutene-1-carboxylate,
ZINC88189771,
AKOS026713968,
NE24473,
cyclobutene-1-carboxylic acid methyl ester,
F1967-2951,
Cyclobutene-1-carboxylicacidmethylester,
CID11389373,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.128g/mol |
| Monoisotopic Mass | 112.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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