| CAS Number | 5153-63-9 |
| Catalog Number | AG00DDR5(AGN-PC-0JPOUG) |
| Chemical Name | Pyridinium acetate |
| IUPAC Name | acetic acid;pyridine |
| InChI | InChI=1S/C5H5N.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h1-5H;1H3,(H,3,4) |
| InChI Key | GAPYKZAARZMMGP-UHFFFAOYSA-N |
| MDL Number | MFCD00274078 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | CC(O)=O.C1=NC=CC=C1 |
| Synonyms | PYRIDINE ACETATE,
5153-63-9,
Acetic acid pyridinyl salt,
Acetic acid, compd. with pyridine (1:1),
acetic acid; pyridine,
AC1L4WFR,
AC1Q5SYM,
SCHEMBL179840,
SCHEMBL8159824,
DTXSID2063719,
CTK5J7215,
EINECS 225-928-5,
ACM5153639,
FT-0695260,
153A639,
Pyridinium acetate,
Pyridiniumacetate,
AR-1L2765,
CID165292,
5460-54-8,
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| Complexity | 61.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number