| CAS Number | 104131-92-2 |
| Catalog Number | AG019Z0T(AGN-PC-00NNFZ) |
| Chemical Name | 1-(propan-2-yl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-propan-2-ylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C7H12O2/c1-5(2)7(3-4-7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9) |
| InChI Key | TUJGKVZBNOHEQB-UHFFFAOYSA-N |
| MDL Number | MFCD19231072 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | C(C)(C)C1(CC1)C(=O)O |
| Synonyms | 1-(propan-2-yl)cyclopropane-1-carboxylic acid,
104131-92-2,
1-Isopropylcyclopropanecarboxylic acid,
SCHEMBL3140773,
ZINC34129805,
AKOS006382721,
MCULE-5558173332,
NE61973,
Z1814381828,
|
| Complexity | 134 |
| 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 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number