Hydroquinone
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CAS Number 123-31-9
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Catalog Number io-2518
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Classification Acids
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Molecular Weight 110.1100
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SMILES C1=CC(=CC=C1O)O
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Hydroquinone is a benzenediol comprising benzene core carrying two hydroxy substituents para to each other. It has a role as a cofactor, a carcinogenic agent, an Escherichia coli metabolite, a human xenobiotic metabolite, a skin lightening agent, an antioxidant and a mouse metabolite. It is a benzenediol and a member of hydroquinones.
1 | hydroquinone |
2 | Benzene-1,4-diol |
3 | 1,4-benzenediol |
4 | Quinol |
5 | 1,4-Dihydroxybenzene |
Molecular Formula | C6H6O2 |
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Canonical SMILES | C1=CC(=CC=C1O)O |
Isomeric SMILES | C1=CC(=CC=C1O)O |
Molecular Weight | 110.1100 |
InChIKey | QIGBRXMKCJKVMJ-UHFFFAOYSA-N |
InChI | InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H |
XLogP | 0.6000 |
ExactMass | 110.0368 |
MonoisotopicMass | 110.0368 |
TPSA | 40.5000 |
Complexity | 54.0000 |
Charge | 0.0000 |
HBondDonorCount | 2 |
HBondAcceptorCount | 2 |
RotatableBondCount | 0 |
HeavyAtomCount | 8 |
IsotopeAtomCount | 0 |
AtomStereoCount | 0 |
DefinedAtomStereoCount | 0 |
UndefinedAtomStereoCount | 0 |
BondStereoCount | 0 |
DefinedBondStereoCount | 0 |
UndefinedBondStereoCount | 0 |
CovalentUnitCount | 1 |
PatentCount | 189286 |
PatentFamilyCount | 80150 |
LiteratureCount | 22079 |