| CAS Number | 214268-26-5 |
| Catalog Number | AG00I451(AGN-PC-004CGR) |
| Chemical Name | 2-(3-Methylphenyl)phenol |
| IUPAC Name | 2-(3-methylphenyl)phenol |
| InChI | InChI=1S/C13H12O/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14/h2-9,14H,1H3 |
| InChI Key | FBMMSJUIGAXYJJ-UHFFFAOYSA-N |
| MDL Number | MFCD06802436 |
| Molecular Formula | C13H12O |
| Molecular Weight | 184.2338 |
| SMILES | C1(C=CC=C(C)C=1)C1=CC=CC=C1O |
| Synonyms | 2-(3-methylphenyl)phenol,
214268-26-5,
3'-Methyl[1,1'-biphenyl]-2-ol,
3'-Methyl-[1,1'-biphenyl]-2-ol,
3'-Methylbiphenyl-2-ol,
SCHEMBL2411804,
DTXSID50458673,
MFCD06802436,
ZINC16947275,
AKOS004118712,
[1,1'-Biphenyl]-2-ol, 3'-methyl-,
BB 0223520,
K-6131,
CID11206198,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.238g/mol |
| Monoisotopic Mass | 184.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number