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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
65
Total Number of Articles : 44
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| PubChem |
2355
|
| Molecular Formula |
C12H8O4 |
| SMILES |
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
| InChI |
InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
| synonyms |
- Bergapten
- 5-Methoxypsoralen
- 484-20-8
- bergaptene
- Heraclin
- Majudin
- 4-Methoxy-7H-furo[3,2-g]chromen-7-one
- BERGAPTAN
- Psoraderm
- 5-Mop
- O-Methylbergaptol
- 5-Methoxy psoralen
- 5-Methoxy-6,7-furanocoumarin
- 5-Methoxyfuranocoumarin
- 4-methoxyfuro[3,2-g]chromen-7-one
- 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-
- 5 methoxypsoralen
- 5-methoxypsoralene
- NSC 95437
- CCRIS 4348
- HSDB 3466
- EINECS 207-604-5
- UNII-4FVK84C92X
- NSC-95437
- 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone
- BRN 0019560
- 4FVK84C92X
- 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-
- DTXSID1025560
- DTXCID305560
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| Properties |
| Property |
Value |
| MW |
216.19 g/mol |
| HBD |
0 |
| HBA |
4 |
| Rotatable Bond Count |
1 |
| Exact Mass |
216.04225873 g/mol |
| Monoisotopic Mass |
216.04225873 g/mol |
| Heavy Atom Count |
16 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
325 |
| xlogp |
2.3 |
| Topological Polar Surface Area |
48.7 |
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