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Bendiocarb phenol

CAS: 22961-82-6
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22961-82-6

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1 Bendiocarb phenol
2 2,2-dimethyl-2H-1,3-benzodioxol-4-ol
3 2,2-Dimethyl-1,3-benzodioxol-4-ol
4 1,3-Benzodioxol-4-ol, 2,2-dimethyl-
5 2,2-DIMETHYLBENZO[1,3]DIOXOL-4-OL

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Molecular Formula C9H10O3
Canonical SMILES CC1(OC2=CC=CC(=C2O1)O)C
Isomeric SMILES CC1(OC2=CC=CC(=C2O1)O)C
Molecular Weight 166.1700
InChIKey CSSWBRMYHJVCPZ-UHFFFAOYSA-N
InChI InChI=1S/C9H10O3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5,10H,1-2H3
XLogP 1.8000
ExactMass 166.0630
MonoisotopicMass 166.0630
TPSA 38.7000
Complexity 179.0000
Charge 0.0000
HBondDonorCount 1
HBondAcceptorCount 3
RotatableBondCount 0
HeavyAtomCount 12
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 146
PatentFamilyCount 61
LiteratureCount 2