3-(3-Aminocarbonylphenyl)benzoic acid - CAS 1261997-49-2
Catalog: |
BB074279 |
Product Name: |
3-(3-Aminocarbonylphenyl)benzoic acid |
CAS: |
1261997-49-2 |
Synonyms: |
3-(3-AMINOCARBONYLPHENYL)BENZOIC ACID; 3-(3-carbamoylphenyl)benzoic acid |
IUPAC Name: | 3-(3-carbamoylphenyl)benzoic acid |
Description: | 3-(3-Aminocarbonylphenyl)benzoic acid |
Molecular Weight: | 241.24 |
Molecular Formula: | C14H11NO3 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)N)C2=CC(=CC=C2)C(=O)O |
InChI: | InChI=1S/C14H11NO3/c15-13(16)11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(17)18/h1-8H,(H2,15,16)(H,17,18) |
InChI Key: | PIFZQEAEPZKVIE-UHFFFAOYSA-N |
Complexity: | 329 |
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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