| CAS Number | 286442-89-5 |
| Catalog Number | AG002VY8(AGN-PC-0WBSNV) |
| Chemical Name | Cyclobutanecarboxylic acid, 1-methyl-3-oxo- |
| IUPAC Name | 1-methyl-3-oxocyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C6H8O3/c1-6(5(8)9)2-4(7)3-6/h2-3H2,1H3,(H,8,9) |
| InChI Key | GURNKGAMQJTVCQ-UHFFFAOYSA-N |
| MDL Number | MFCD00604210 |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.1259 |
| SMILES | O=C(C1(C)CC(C1)=O)O |
| Synonyms | 1-METHYL-3-OXOCYCLOBUTANE-1-CARBOXYLIC ACID,
286442-89-5,
1-methyl-3-oxocyclobutanecarboxylic acid,
SCHEMBL18220609,
KS-000007EO,
MFCD00604210,
ZINC95707266,
AKOS006378630,
PB12182,
AS-34658,
CS-0052446,
Cyclobutanecarboxylic acid, 1-methyl-3-oxo-,
Q-1647,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.127g/mol |
| Monoisotopic Mass | 128.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number