| CAS Number | 87433-66-7 |
| Catalog Number | AG004IZS(AGN-PC-0WB3J4) |
| Chemical Name | 3-(1-Methylcyclopropyl)propanoic acid |
| IUPAC Name | 3-(1-methylcyclopropyl)propanoic acid |
| InChI | InChI=1S/C7H12O2/c1-7(4-5-7)3-2-6(8)9/h2-5H2,1H3,(H,8,9) |
| InChI Key | YCVOGPHTDVZENI-UHFFFAOYSA-N |
| MDL Number | MFCD08059897 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | C1(C)(CCC(O)=O)CC1 |
| Synonyms | 3-(1-METHYLCYCLOPROPYL)PROPANOIC ACID,
87433-66-7,
SCHEMBL2471005,
CTK5F8445,
DTXSID90527276,
YCVOGPHTDVZENI-UHFFFAOYSA-N,
CHEMBRDG-BB 4012703,
MFCD08059897,
ZINC12384403,
3-(1-Methylcyclopropyl)propionic acid,
AKOS006281867,
AJ-62020,
Y-3462,
3-(1-methylcyclopropyl)propanoic acid, AldrichCPR,
|
| 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 | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number