4-(3-Aminocarbonylphenyl)benzoic Acid - CAS 199678-18-7
Catalog: |
BB074278 |
Product Name: |
4-(3-Aminocarbonylphenyl)benzoic Acid |
CAS: |
199678-18-7 |
Synonyms: |
3'-(Aminocarbonyl)[1,1'-biphenyl]-4-carboxylic acid; 3'-Carbamoylbiphenyl-4-carboxylic acid |
IUPAC Name: | 4-(3-carbamoylphenyl)benzoic acid |
Molecular Weight: | 241.24 |
Molecular Formula: | C14H11NO3 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)N)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C14H11NO3/c15-13(16)12-3-1-2-11(8-12)9-4-6-10(7-5-9)14(17)18/h1-8H,(H2,15,16)(H,17,18) |
InChI Key: | RJUGNNOOCRDGDQ-UHFFFAOYSA-N |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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