| CAS Number | 1189678-81-6 |
| Catalog Number | AG00780A(AGN-PC-0WAFZZ) |
| Chemical Name | Salicylic Acid-13C6 |
| IUPAC Name | 6-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid |
| InChI | InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1 |
| InChI Key | YGSDEFSMJLZEOE-IDEBNGHGSA-N |
| MDL Number | MFCD20257120 |
| Molecular Formula | C7H6O3 |
| Molecular Weight | 144.0767 |
| SMILES | C([13C]1[13CH]=[13CH][13CH]=[13CH][13C]=1O)(=O)O |
| Synonyms | Salicylic Acid-13C6,
1189678-81-6,
2-Hydroxybenzoic acid (phenyl-13C6),
2-Hydroxybenzoic Acid-13C6,
Salicylic acid (phenyl-13C6),
CTK8G3042,
DTXSID20676140,
[U-ring-13C6]-Hydroxybenzoic acid,
2-Hydroxy(~13~C_6_)benzoic acid,
AKOS030243087,
FT-0674503,
Salicylic acid (phenyl-13C6), 99 atom % 13C,
J-003966,
Salicylic acid (phenyl-13C6), analytical standard,
2-Hydroxybenzoic acid,
Salicylic Acid 13C6,
CS-T-61220,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 6 |
| Molecular Weight | 144.076g/mol |
| Monoisotopic Mass | 144.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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