| CAS Number | 1563-80-0 |
| Catalog Number | AG001OO2(AGN-PC-0Q73PF) |
| Chemical Name | Acetic-2-13C acid (6CI,8CI,9CI) |
| IUPAC Name | acetic acid |
| InChI | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1+1 |
| InChI Key | QTBSBXVTEAMEQO-OUBTZVSYSA-N |
| MDL Number | MFCD00074856 |
| Molecular Formula | C2H4O2 |
| Molecular Weight | 61.0446 |
| SMILES | [13CH3]C(=O)O |
| Synonyms | Acetic acid-2-13C,
1563-80-0,
(2-13C)Acetic acid,
Acetic acid-2-13C,d4,
MFCD00074856,
Acetic acid-2-13C, 99 atom % 13C,
J-009298,
285977-76-6,
acetic acid,
Acetic Acid-2 13C,
ACETICACID-2-13C,
CS-T-47043,
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| Complexity | 31 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 61.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 4 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 1 |
| Molecular Weight | 61.044g/mol |
| Monoisotopic Mass | 61.024g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number