| CAS Number | 150864-94-1 |
| Catalog Number | AG00HXTU(AGN-PC-03IUS8) |
| Chemical Name | Cyclobutanecarboxylic acid, 1-ethyl- |
| IUPAC Name | 1-ethylcyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C7H12O2/c1-2-7(6(8)9)4-3-5-7/h2-5H2,1H3,(H,8,9) |
| InChI Key | XLUXAKJPHJEFKL-UHFFFAOYSA-N |
| MDL Number | MFCD18253511 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | CCC1(CCC1)C(=O)O |
| Synonyms | 1-ethylcyclobutane-1-carboxylic acid,
150864-94-1,
1-Ethylcyclobutanecarboxylic acid,
Ethylcyclobutane carboxylate,
SCHEMBL1055977,
DTXSID40621334,
XLUXAKJPHJEFKL-UHFFFAOYSA-N,
Cyclobutanecarboxylic acid, 1-ethyl-,
MFCD18253511,
ZINC64033393,
AKOS006381265,
KS-8923,
MCULE-8472500117,
NE34570,
CS-0037445,
FT-0708941,
F8881-3740,
Z1362754424,
14924-53-9,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.171g/mol |
| Monoisotopic Mass | 128.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number