| CAS Number | 78685-51-5 |
| Catalog Number | AG00ICYR(AGN-PC-0069MR) |
| Chemical Name | Cyclobutanecarboxylic acid, 2,2-dimethyl-3-oxo-, methyl ester |
| IUPAC Name | methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate |
| InChI | InChI=1S/C8H12O3/c1-8(2)5(4-6(8)9)7(10)11-3/h5H,4H2,1-3H3 |
| InChI Key | GYEUKBYFWMJNSM-UHFFFAOYSA-N |
| MDL Number | MFCD21332873 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| SMILES | O=C(C1C(C)(C)C(C1)=O)OC |
| Synonyms | 78685-51-5,
METHYL 2,2-DIMETHYL-3-OXOCYCLOBUTANECARBOXYLATE,
methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate,
Cyclobutanecarboxylic acid, 2,2-dimethyl-3-oxo-, methyl ester,
SCHEMBL15549635,
GYEUKBYFWMJNSM-UHFFFAOYSA-N,
KS-000007OP,
MFCD21332873,
FCH1609346,
PB31192,
AK171593,
AS-51541,
CS-0049193,
FT-0738135,
Q-3292,
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| Complexity | 205 |
| 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 | 2 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number