| CAS Number | 77626-41-6 |
| Catalog Number | AG01A1UI |
| Chemical Name | [(methoxycarbonyl)oxy](pyridin-2-yl)methanone |
| IUPAC Name | methoxycarbonyl pyridine-2-carboxylate |
| InChI | InChI=1S/C8H7NO4/c1-12-8(11)13-7(10)6-4-2-3-5-9-6/h2-5H,1H3 |
| InChI Key | FVACPSNGHWUBQN-UHFFFAOYSA-N |
| MDL Number | MFCD22565953 |
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.1455 |
| SMILES | COC(OC(C1=NC=CC=C1)=O)=O |
| Synonyms | [(methoxycarbonyl)oxy](pyridin-2-yl)methanone,
77626-41-6,
SCHEMBL5242228,
ZINC100458616,
NE25344,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.147g/mol |
| Monoisotopic Mass | 181.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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