| CAS Number | 88319-37-3 |
| Catalog Number | AG0048GQ(AGN-PC-0252OT) |
| Chemical Name | 2-Cyano-4,4-dimethyl-2-pentenoic acid |
| IUPAC Name | 2-cyano-4,4-dimethylpent-2-enoic acid |
| InChI | InChI=1S/C8H11NO2/c1-8(2,3)4-6(5-9)7(10)11/h4H,1-3H3,(H,10,11) |
| InChI Key | NJCRQFJRXAZYEJ-UHFFFAOYSA-N |
| MDL Number | MFCD30475394 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | CC(C)(C)/C=C(C#N)/C(O)=O |
| Synonyms | 2-cyano-4,4-dimethylpent-2-enoic acid,
2-Pentenoic acid, 2-cyano-4,4-dimethyl-,
88319-37-3,
CTK3B3977,
DTXSID60828904,
NJCRQFJRXAZYEJ-UHFFFAOYSA-N,
AKOS017434064,
2-cyano-4,4-dimethylpent -2-enoic acid,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.181g/mol |
| Monoisotopic Mass | 153.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.1A^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