| CAS Number | 60129-31-9 |
| Catalog Number | AG019XO0(AGN-PC-0WOCQA) |
| Chemical Name | 3-Cyclopropylbutanoic acid |
| IUPAC Name | 3-cyclopropylbutanoic acid |
| InChI | InChI=1S/C7H12O2/c1-5(4-7(8)9)6-2-3-6/h5-6H,2-4H2,1H3,(H,8,9) |
| InChI Key | UGFAKPKHHOAZHY-UHFFFAOYSA-N |
| MDL Number | MFCD11172873 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | CC(C1CC1)CC(O)=O |
| Synonyms | 3-cyclopropylbutanoic acid,
60129-31-9,
SCHEMBL5967438,
CTK6A4686,
AKOS009219893,
3-cyclopropylbutanoic acid, AldrichCPR,
MCULE-6791529668,
NE61112,
EN300-55512,
A1-08456,
Z1198107469,
AC1Q1QXZ,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.08373g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.17g/mol |
| Monoisotopic Mass | 128.08373g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number