3-(4-Methoxycarbonylphenyl)benzoic acid - CAS 579510-89-7
Catalog: |
BB076130 |
Product Name: |
3-(4-Methoxycarbonylphenyl)benzoic acid |
CAS: |
579510-89-7 |
Synonyms: |
3-(4-Methoxycarbonylphenyl)benzoic acid; 4'-(Methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylic acid; 4'-(Methoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid; METHYL 4-(3-CARBOXYPHENYL)BENZOATE |
IUPAC Name: | 3-(4-methoxycarbonylphenyl)benzoic acid |
Description: | 3-(4-Methoxycarbonylphenyl)benzoic acid |
Molecular Weight: | 256.25 |
Molecular Formula: | C15H12O4 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O |
InChI: | InChI=1S/C15H12O4/c1-19-15(18)11-7-5-10(6-8-11)12-3-2-4-13(9-12)14(16)17/h2-9H,1H3,(H,16,17) |
InChI Key: | JQFDHVOVMCNCDZ-UHFFFAOYSA-N |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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