| CAS Number | 71199-15-0 |
| Catalog Number | AG00FGSP(AGN-PC-00PR2K) |
| Chemical Name | 2-(1-methylcyclopropyl)acetic acid |
| IUPAC Name | 2-(1-methylcyclopropyl)acetic acid |
| InChI | InChI=1S/C6H10O2/c1-6(2-3-6)4-5(7)8/h2-4H2,1H3,(H,7,8) |
| InChI Key | AOPATQAZIRXNOX-UHFFFAOYSA-N |
| MDL Number | MFCD18632734 |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.1424 |
| SMILES | O=C(O)CC1(C)CC1 |
| Synonyms | 2-(1-methylcyclopropyl)acetic acid,
71199-15-0,
Cyclopropaneacetic acid, 1-methyl-,
1-methyl Cyclopropaneacetic acid,
SCHEMBL598110,
WT904,
ZINC34592673,
3-methyl-3,4-methylene butanoic acid,
AKOS006372773,
NE47057,
DB-074399,
FT-0746645,
71199-15-0 2-(1-methylcyclopropyl)acetic acid,
I14-16259,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 114.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.144g/mol |
| Monoisotopic Mass | 114.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number