| CAS Number | 227607-44-5 |
| Catalog Number | AG00BOQ8(AGN-PC-0QZCOK) |
| Chemical Name | Cyclobutanecarboxylic acid, 1-methyl-3-oxo-, ethyl ester (9CI) |
| IUPAC Name | ethyl 1-methyl-3-oxocyclobutane-1-carboxylate |
| InChI | InChI=1S/C8H12O3/c1-3-11-7(10)8(2)4-6(9)5-8/h3-5H2,1-2H3 |
| InChI Key | WULIHYFQPZMMLD-UHFFFAOYSA-N |
| MDL Number | MFCD23105920 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| SMILES | O=C(C1(C)CC(C1)=O)OCC |
| Synonyms | 227607-44-5,
ethyl 1-methyl-3-oxocyclobutane-1-carboxylate,
ethyl 1-methyl-3-oxocyclobutanecarboxylate,
Ethyl 1-methyl-3-oxo-cyclobutanecarboxylate,
SCHEMBL14127768,
CTK8H6968,
WULIHYFQPZMMLD-UHFFFAOYSA-N,
Cyclobutanecarboxylic acid, 1-methyl-3-oxo-, ethyl ester (9CI),
KS-000007EP,
BBL103476,
MFCD23105920,
STL557286,
ZINC39087979,
AKOS025213466,
PB36405,
SB20562,
CS-0049549,
Q-1642,
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| Complexity | 188 |
| 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 | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number