| CAS Number | 99495-07-5 |
| Catalog Number | AG01A5WI(AGN-PC-044GFQ) |
| Chemical Name | 1-methoxycyclobutane-1-carboxylic acid |
| IUPAC Name | 1-methoxycyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C6H10O3/c1-9-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8) |
| InChI Key | ZKGYKYOWKFMUGF-UHFFFAOYSA-N |
| MDL Number | MFCD24843059 |
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.1418 |
| SMILES | COC1(CCC1)C(=O)O |
| Synonyms | 1-methoxycyclobutane-1-carboxylic acid,
99495-07-5,
Cyclobutanecarboxylic acid, 1-methoxy-,
SCHEMBL5634851,
ZINC95347985,
AKOS021547817,
MCULE-5969292821,
NE17156,
FT-0751865,
Z1642389943,
1-methoxycyclobutanecarboxylic acid,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.143g/mol |
| Monoisotopic Mass | 130.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number