Basic information
- CAS
1846-74-8- Standard SMILES
O=C(c1ccccc1)c1cc2ccccc2oc1=O- InChIKey
LPBMPRKJYKSRLL-UHFFFAOYSA-N- Molecular formula
- C16H10O3
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.06299418
Names & identifiers
- Preferred name
- 3-Benzoylcoumarin
- IUPAC
- 3-benzoylchromen-2-one
- English name
- 3-Benzoylcoumarin
- Molecular formula
- C16H10O3
- Molecular weight
- 250.25
Names & synonyms
3-BenzoylcoumarinCOUMARIN, 3-BENZOYL-2H-1-Benzopyran-2-one, 3-benzoyl-3-Benzoyl-2H-1-benzopyran-2-oneXF9P5UO8INNSC 11862BRN 0190875UNII-XF9P5UO8INNSC-11862DTXSID60751445-17-11-00557 (Beilstein Handbook Reference)RefChem:93048
Show more names
DTXCID10358662H-1-Benzopyran-2-one, 3-benzoyl-(9CI)1846-74-83-benzoyl-2H-chromen-2-one3-benzoylchromen-2-one3-Benzoyl-chromen-2-oneMFCD00233579NSC11862
Database identifiers
- CAS
1846-74-8- PubChem CID
- 15799
- DTXSID
DTXSID6075144- ChEMBL
CHEMBL591522- UNII
- XF9P5UO8IN
- Nikkaji
- J48.482B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Melting point
- 138 °C · 138 °C
- Boiling point
- 447.7 · 447.7±45.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- FDA UNII
- 9 P5UO8IN · XF9P5UO8IN
- EPA Substance Registry System
- 3 · 3-Benzoylcoumarin (1846-74-8)
Chemistry & industry
Applications
Uses3-Benzoylcoumarin is a useful intermediate used in the synthesis of coumarin-chalcone derivatives with antibacterial properties for the treatment of tenacibaculosis.
Upstream & downstream products
Upstream raw materials
Suppliers18 total
河南萨克斯生物科技有限公司13803717460 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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