| CAS Number | 287399-29-5 |
| Catalog Number | AG00BJ9M(AGN-PC-0WH4ZW) |
| Chemical Name | 4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid |
| IUPAC Name | 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid |
| InChI | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1 |
| InChI Key | FJKROLUGYXJWQN-IDEBNGHGSA-N |
| MDL Number | MFCD01075598 |
| Molecular Formula | C7H6O3 |
| Molecular Weight | 144.0767 |
| SMILES | O[13c]1[13cH][13cH][13c]([13cH][13cH]1)C(=O)O |
| Synonyms | 287399-29-5,
DTXSID40745665,
4-Hydroxy(~13~C_6_)benzoic acid,
4-Hydroxybenzoic acid-(ring-13C6),
4-Hydroxybenzoic acid-(phenyl-13C6), 99 atom % 13C,
4-HYDROXYBENZOIC ACID,
4-Hydroxybenzoic acid 13C6,
4-hydroxybenzoic acid ring-13c6,
CS-CX-00500,
|
| Complexity | 125 |
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number