| CAS Number | 1559062-00-8 |
| Catalog Number | AG00J2ZJ(AGN-PC-0WRASM) |
| Chemical Name | 3-Piperidinyl(2-pyridinyl)methanone carbonic acid (2:1) |
| IUPAC Name | carbonic acid;piperidin-3-yl(pyridin-2-yl)methanone |
| InChI | InChI=1S/C11H14N2O.CH2O3/c14-11(9-4-3-6-12-8-9)10-5-1-2-7-13-10;2-1(3)4/h1-2,5,7,9,12H,3-4,6,8H2;(H2,2,3,4) |
| InChI Key | NYELDUMHAQAYMK-UHFFFAOYSA-N |
| MDL Number | MFCD27966303 |
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.2664 |
| SMILES | C(C1CCCNC1)(C1N=CC=CC=1)=O.C(O)(O)=O |
| Synonyms | 3-piperidinyl(2-pyridinyl)methanone - carbonic acid (2:1),
1559062-00-8,
ZX-CM010998,
MFCD27966303,
A-6911,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.27g/mol |
| Monoisotopic Mass | 252.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number