| CAS Number | 63297-02-9 |
| Catalog Number | AG0036XB(AGN-PC-00GKT9) |
| Chemical Name | [1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3,3'-dimethyl- |
| IUPAC Name | 4-(4-carboxy-3-methylphenyl)-2-methylbenzoic acid |
| InChI | InChI=1S/C16H14O4/c1-9-7-11(3-5-13(9)15(17)18)12-4-6-14(16(19)20)10(2)8-12/h3-8H,1-2H3,(H,17,18)(H,19,20) |
| InChI Key | KWJNTOJAUQZMJO-UHFFFAOYSA-N |
| MDL Number | MFCD30542914 |
| Molecular Formula | C16H14O4 |
| Molecular Weight | 270.2800 |
| SMILES | OC(=O)c1ccc(cc1C)c1ccc(c(c1)C)C(=O)O |
| Synonyms | 63297-02-9,
[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3,3'-dimethyl-,
3,3'-Dimethyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid,
SCHEMBL1498034,
CTK1I7484,
DTXSID90473244,
AKOS030533410,
3,3'-dimethyl-4,4'-biphenyldicarboxylic acid,
CID11807754,
4-(4-carboxy-3-methyl-phenyl)-2-methyl-benzoic Acid,
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| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.284g/mol |
| Monoisotopic Mass | 270.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number