| CAS Number | 848133-09-5 |
| Catalog Number | AG004X3M(AGN-PC-0OJCUY) |
| Chemical Name | 2-Butenoic acid,4-(1-pyrrolidinyl)-, hydrochloride (1:1), (2E)- |
| IUPAC Name | 4-pyrrolidin-1-ylbut-2-enoic acid |
| InChI | InChI=1S/C8H13NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h3-4H,1-2,5-7H2,(H,10,11) |
| InChI Key | IVFIUBOAHQZQQJ-UHFFFAOYSA-N |
| MDL Number | MFCD09038096 |
| Molecular Formula | C8H14ClNO2 |
| Molecular Weight | 191.6553 |
| SMILES | Cl.N1(CCCC1)C/C=C/C(=O)O |
| Synonyms | 848133-09-5,
(E)-4-(pyrrolidin-1-yl)but-2-enoic acid,
2-Butenoic acid,4-(1-pyrrolidinyl)-, hydrochloride (1:1), (2E)-,
CTK5F3208,
DTXSID40699417,
4-(Pyrrolidin-1-yl)but-2-enoic acid,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.197g/mol |
| Monoisotopic Mass | 155.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard statements
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H302-H315-H319-H335
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Precautionary statements
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P261-P305+P351+P338
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Certificate of Analysis
Lot Number