AA07902
1020-31-1 | 3,5-Di-tert-butylcatechol
Manufacturer: A2B Chem
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CatalogNumber
AA07902
ChemicalName
3,5-Di-tert-butylcatechol
CasNumber
1020-31-1
MolecularFormula
C14H22O2
MolecularWeight
222.32327999999995
MdlNumber
MFCD00008819
Smiles
Oc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
NscNumber
59767
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
4.6
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CatalogNumber: AA07902
ChemicalName: 3,5-Di-tert-butylcatechol
CasNumber: 1020-31-1
MolecularFormula: C14H22O2
MolecularWeight: 222.32327999999995
MdlNumber: MFCD00008819
Smiles: Oc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
NscNumber: 59767
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 4.6
CatalogNumber:
AA07902
ChemicalName:
3,5-Di-tert-butylcatechol
CasNumber:
1020-31-1
MolecularFormula:
C14H22O2
MolecularWeight:
222.32327999999995
MdlNumber:
MFCD00008819
Smiles:
Oc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
NscNumber:
59767
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
4.6
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Smiles: O=C(c1ccccc1)CCN1CCOCC1.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(c1ccccc1)CCN1CCOCC1.Cl
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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ChemicalName: __
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Smiles: OB(O[Hg]c1ccccc1)O
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Smiles:
OB(O[Hg]c1ccccc1)O
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(NCc1ccccc1)C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC(NCc1ccccc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__