Dimethyl biphenyl-3,4'-dicarboxylate - CAS 55676-76-1
Catalog: |
BB055865 |
Product Name: |
Dimethyl biphenyl-3,4'-dicarboxylate |
CAS: |
55676-76-1 |
Synonyms: |
dimethyl biphenyl-3,4'-dicarboxylate; [1,1'-Biphenyl]-3,4'-dicarboxylic acid, dimethyl ester; methyl 3-(4-methoxycarbonylphenyl)benzoate; (1,1'-Biphenyl)-3,4'-dicarboxylic acid, dimethyl ester; Dimethyl (1,1'-biphenyl)-3,4'-dicarboxylate; dimethyl[1,1'-biphenyl]-3,4'-dicarboxylate |
IUPAC Name: | methyl 3-(4-methoxycarbonylphenyl)benzoate |
Description: | Dimethyl biphenyl-3,4'-dicarboxylate |
Molecular Weight: | 270.28 |
Molecular Formula: | C16H14O4 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OC |
InChI: | InChI=1S/C16H14O4/c1-19-15(17)12-8-6-11(7-9-12)13-4-3-5-14(10-13)16(18)20-2/h3-10H,1-2H3 |
InChI Key: | WECHJLDENFZQRV-UHFFFAOYSA-N |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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