| CAS Number | 1179362-36-7 |
| Catalog Number | AG00HEBU(AGN-PC-0WAAG4) |
| Chemical Name | 4'-Formyl-2'-methyl-[1,1'-biphenyl]-4-carboxylic acid |
| IUPAC Name | 4-(4-formyl-2-methylphenyl)benzoic acid |
| InChI | InChI=1S/C15H12O3/c1-10-8-11(9-16)2-7-14(10)12-3-5-13(6-4-12)15(17)18/h2-9H,1H3,(H,17,18) |
| InChI Key | GDJPELJDSACTQZ-UHFFFAOYSA-N |
| MDL Number | MFCD12547501 |
| Molecular Formula | C15H12O3 |
| Molecular Weight | 240.2540 |
| SMILES | CC1=C(C2=CC=C(C(O)=O)C=C2)C=CC(C=O)=C1 |
| Synonyms | 1179362-36-7,
4'-Formyl-2'-methyl-[1,1'-biphenyl]-4-carboxylic acid,
4'-formyl-2'-methylbiphenyl-4-carboxylic acid,
SCHEMBL17158362,
DTXSID70676615,
ZINC67173565,
AKOS015842351,
AJ-116852,
AX8255517,
TC-067363,
4'-Formyl-2'-methyl[1,1'-biphenyl]-4-carboxylic acid,
4'-Formyl-2'-methyl-[1,1'-biphenyl]-4-carboxylicacid,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.258g/mol |
| Monoisotopic Mass | 240.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number