3-[4-(Carboxymethyl)phenyl]benzoic acid - CAS 868394-58-5
Catalog: |
BB070547 |
Product Name: |
3-[4-(Carboxymethyl)phenyl]benzoic acid |
CAS: |
868394-58-5 |
Synonyms: |
3-[4-(Carboxymethyl)phenyl]benzoic acid; 4'-(Carboxymethyl)-[1,1'-biphenyl]-3-carboxylic acid; 3'-Carboxy-biphenyl-4-acetic acid; 4'-(Carboxymethyl)-[1,1'-biphenyl]-3-carboxylicacid; 3'-Carboxybiphenyl-4-acetic acid; 3-Carboxy-biphenyl-4-acetic acid |
IUPAC Name: | 3-[4-(carboxymethyl)phenyl]benzoic acid |
Description: | 3-[4-(Carboxymethyl)phenyl]benzoic acid |
Molecular Weight: | 256.25 |
Molecular Formula: | C15H12O4 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)CC(=O)O |
InChI: | InChI=1S/C15H12O4/c16-14(17)8-10-4-6-11(7-5-10)12-2-1-3-13(9-12)15(18)19/h1-7,9H,8H2,(H,16,17)(H,18,19) |
InChI Key: | JTECIBDMZQPWSG-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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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