| CAS Number | 386297-59-2 |
| Catalog Number | AG00C6LG(AGN-PC-0WCY50) |
| Chemical Name | Methyl 3-(3-formylphenyl)benzoate |
| IUPAC Name | methyl 3-(3-formylphenyl)benzoate |
| InChI | InChI=1S/C15H12O3/c1-18-15(17)14-7-3-6-13(9-14)12-5-2-4-11(8-12)10-16/h2-10H,1H3 |
| InChI Key | CPAIYDIGLIGAEN-UHFFFAOYSA-N |
| MDL Number | MFCD06801768 |
| Molecular Formula | C15H12O3 |
| Molecular Weight | 240.2540 |
| SMILES | C(=O)C=1C=C(C=CC1)C1=CC(=CC=C1)C(=O)OC |
| Synonyms | Methyl 3-(3-formylphenyl)benzoate,
386297-59-2,
Methyl 3'-formyl-[1,1'-biphenyl]-3-carboxylate,
AC1NP07M,
SCHEMBL5861135,
CTK4I0249,
DTXSID50408274,
CPAIYDIGLIGAEN-UHFFFAOYSA-N,
CS-D0497,
MFCD06801768,
ZINC16945816,
AKOS004113815,
Methyl 3'-formylbiphenyl-3-carboxylate,
OR70210,
AK202161,
BB 0222657,
METHYL 3-FORMYLBIPHENYL-3-CARBOXYLATE,
methyl 3'-formyl[1,1'-biphenyl]-3-carboxylate,
CID5097336,
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| Complexity | 300 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.258g/mol |
| Monoisotopic Mass | 240.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number