| CAS Number | 1456695-29-6 |
| Catalog Number | AG00HXG7 |
| Chemical Name | Ethyl 3-formylcyclobutane-1-carboxylate |
| IUPAC Name | ethyl 3-formylcyclobutane-1-carboxylate |
| InChI | InChI=1S/C8H12O3/c1-2-11-8(10)7-3-6(4-7)5-9/h5-7H,2-4H2,1H3 |
| InChI Key | JKLRZLCGJIQYPN-UHFFFAOYSA-N |
| MDL Number | MFCD28362468 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| SMILES | CCOC(=O)C1CC(C1)C=O |
| Synonyms | ethyl 3-formylcyclobutane-1-carboxylate,
1456695-29-6,
ethyl 3-formylcyclobutanecarboxylate,
Cyclobutanecarboxylic acid, 3-formyl-, ethyl ester,
SCHEMBL16699977,
AMCB00010,
JKLRZLCGJIQYPN-UHFFFAOYSA-N,
ZINC230400619,
AM85590,
C8H12O3,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.181g/mol |
| Monoisotopic Mass | 156.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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