Methyl 4-(2,5-dimethoxyphenyl)benzoate - CAS 1437794-61-0
Catalog: |
BB075989 |
Product Name: |
Methyl 4-(2,5-dimethoxyphenyl)benzoate |
CAS: |
1437794-61-0 |
Synonyms: |
METHYL 4-(2,5-DIMETHOXYPHENYL)BENZOATE; Methyl 2',5'-dimethoxy-[1,1'-biphenyl]-4-carboxylate; Methyl2',5'-dimethoxy-[1,1'-biphenyl]-4-carboxylate; [1,1'-Biphenyl]-4-carboxylic acid, 2',5'-dimethoxy-, methyl ester |
IUPAC Name: | methyl 4-(2,5-dimethoxyphenyl)benzoate |
Description: | Methyl 4-(2,5-dimethoxyphenyl)benzoate |
Molecular Weight: | 272.3 |
Molecular Formula: | C16H16O4 |
Canonical SMILES: | COC1=CC(=C(C=C1)OC)C2=CC=C(C=C2)C(=O)OC |
InChI: | InChI=1S/C16H16O4/c1-18-13-8-9-15(19-2)14(10-13)11-4-6-12(7-5-11)16(17)20-3/h4-10H,1-3H3 |
InChI Key: | JVAICMIBPIISCY-UHFFFAOYSA-N |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.10485899 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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