| CAS Number | 50921-71-6 |
| Catalog Number | AG019W59(AGN-PC-0OBFF2) |
| Chemical Name | (2E)-3-Cyclopropyl-2-butenoic acid |
| IUPAC Name | 3-cyclopropylbut-2-enoic acid |
| InChI | InChI=1S/C7H10O2/c1-5(4-7(8)9)6-2-3-6/h4,6H,2-3H2,1H3,(H,8,9) |
| InChI Key | VADJFJIXYOTWIQ-UHFFFAOYSA-N |
| MDL Number | MFCD11172819 |
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.1531 |
| SMILES | CC(C1CC1)=CC(O)=O |
| Synonyms | 3-cyclopropylbut-2-enoic acid,
766-68-7,
(E)-3-Cyclopropylbut-2-enoic acid,
50921-71-6,
ACMC-209p59,
CTK5E3284,
CTK5J8622,
DTXSID30696531,
VADJFJIXYOTWIQ-UHFFFAOYSA-N,
ANW-36859,
ANW-74957,
AKOS030231779,
MCULE-7697317178,
2-Butenoic acid, 3-cyclopropyl-, (E)-,
(Z)-3-Cyclopropylbut-2-enoic acid,
3-Cyclopropylbut-2-enoicacid,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.155g/mol |
| Monoisotopic Mass | 126.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number