| CAS Number | 85997-30-4 |
| Catalog Number | AG01FPH6(AGN-PC-02TWGI) |
| Chemical Name | 2-Propenoic acid, 2-methyl-, 3-(4-pyridinyl)propyl ester |
| IUPAC Name | 3-pyridin-4-ylpropyl 2-methylprop-2-enoate |
| InChI | InChI=1S/C12H15NO2/c1-10(2)12(14)15-9-3-4-11-5-7-13-8-6-11/h5-8H,1,3-4,9H2,2H3 |
| InChI Key | JIOVONQDCZYUSM-UHFFFAOYSA-N |
| MDL Number | MFCD32206347 |
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.2530 |
| SMILES | CC(C(=O)OCCCC1=CC=NC=C1)=C |
| Synonyms | SCHEMBL1921399,
AS-70087,
Methacrylic acid 3-(4-pyridyl)propyl ester,
3-(pyridin-4-yl)propyl 2-methylprop-2-enoate,
85997-30-4,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.110279g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.25g/mol |
| Monoisotopic Mass | 205.110279g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 39.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number