Dioxybenzone
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CAS Number 131-53-3
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Catalog Number io-14013
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Classification Ethers
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Molecular Weight 244.2400
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SMILES COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O
| Size | QTY | Notes | |
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2,2'-Dihydroxy-4-methoxybenzophenone is a member of benzophenones.
| 1 | dioxybenzone |
| 2 | 2,2'-DIHYDROXY-4-METHOXYBENZOPHENONE |
| 3 | Benzophenone-8 |
| 4 | Dioxybenzon |
| 5 | Advastab 47 |
| Molecular Formula | C14H12O4 |
|---|---|
| Canonical SMILES | COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O |
| Isomeric SMILES | COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O |
| Molecular Weight | 244.2400 |
| InChIKey | MEZZCSHVIGVWFI-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3 |
| XLogP | 3.3000 |
| ExactMass | 244.0736 |
| MonoisotopicMass | 244.0736 |
| TPSA | 66.8000 |
| Complexity | 292.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 44210 |
| PatentFamilyCount | 16403 |
| LiteratureCount | 140 |
