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Structure
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| Relationships |
Total Number of functionally related protein(s) :
594
Total Number of Articles : 1013
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| PubChem |
323
|
| Molecular Formula |
C9H6O2 |
| SMILES |
C1=CC=C2C(=C1)C=CC(=O)O2 |
| InChI |
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| synonyms |
- coumarin
- 91-64-5
- cumarin
- 1,2-Benzopyrone
- chromen-2-one
- Rattex
- Coumarinic anhydride
- Coumarine
- Coumarinic lactone
- o-Hydroxycinnamic lactone
- 2-Oxo-1,2-benzopyran
- Kumarin
- Benzo-a-pyrone
- 2H-Benzo(b)pyran-2-one
- 5,6-Benzo-2-pyrone
- 2H-1-Benzopyran, 2-oxo-
- o-Hydroxyzimtsaure-lacton
- 2H-Benzo[b]pyran-2-one
- Coumarinum
- NCI C07103
- NSC 8774
- CCRIS 181
- EPA Pesticide Chemical Code 127301
- DTXSID7020348
- CHEBI:28794
- BRN 0383644
- HSDB 1623
- 2-oxo-2H-1-benzopyran
- AI3-00753
- UNII-A4VZ22K1WT
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| Properties |
| Property |
Value |
| MW |
146.14 g/mol |
| HBD |
0 |
| HBA |
2 |
| Rotatable Bond Count |
0 |
| Exact Mass |
146.036779430 g/mol |
| Monoisotopic Mass |
146.036779430 g/mol |
| Heavy Atom Count |
11 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
196 |
| xlogp |
1.4 |
| Topological Polar Surface Area |
26.3 |
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