| CAS Number | 155380-49-7 |
| Catalog Number | AG00AY3C(AGN-PC-0NKK1T) |
| Chemical Name | Cyclobutanecarboxylic acid, 1-formyl-, methyl ester (9CI) |
| IUPAC Name | methyl 1-formylcyclobutane-1-carboxylate |
| InChI | InChI=1S/C7H10O3/c1-10-6(9)7(5-8)3-2-4-7/h5H,2-4H2,1H3 |
| InChI Key | ZWKZWJDTPRZFLV-UHFFFAOYSA-N |
| MDL Number | MFCD15526935 |
| Molecular Formula | C7H10O3 |
| Molecular Weight | 142.1525 |
| SMILES | C(=O)C1(CCC1)C(=O)OC |
| Synonyms | methyl 1-formylcyclobutanecarboxylate,
155380-49-7,
SCHEMBL1971946,
CTK8H0872,
Cyclobutanecarboxylic acid, 1-formyl-, methyl ester (9CI),
ZWKZWJDTPRZFLV-UHFFFAOYSA-N,
methyl 1-formylcyclobutan-carboxylate,
ZINC39061156,
methyl 1-formylcyclobutane-carboxylate,
AKOS023556678,
methyl 1-1formylcyclobutane-carboxylate,
Cyclobutanecarboxylic acid, 1-formyl-, methyl ester,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.154g/mol |
| Monoisotopic Mass | 142.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number