3-Benzoylcoumarin - CAS 1846-74-8
Catalog: |
BB073716 |
Product Name: |
3-Benzoylcoumarin |
CAS: |
1846-74-8 |
Synonyms: |
3-Benzoylcoumarin; 3-benzoylchromen-2-one; 3-benzoyl-2H-chromen-2-one; COUMARIN, 3-BENZOYL-; 2H-1-Benzopyran-2-one, 3-benzoyl-; 3-Benzoyl-chromen-2-one; 3-Benzoyl-2H-1-benzopyran-2-one |
IUPAC Name: | 3-benzoylchromen-2-one |
Molecular Weight: | 250.25 |
Molecular Formula: | C16H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3OC2=O |
InChI: | InChI=1S/C16H10O3/c17-15(11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)19-16(13)18/h1-10H |
InChI Key: | LPBMPRKJYKSRLL-UHFFFAOYSA-N |
Complexity: | 404 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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