AA70178
143726-85-6 | tert-Butyl 4-(hydroxymethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA70178
ChemicalName
tert-Butyl 4-(hydroxymethyl)benzoate
CasNumber
143726-85-6
MolecularFormula
C12H16O3
MolecularWeight
208.2536
MdlNumber
MFCD04973449
Smiles
OCc1ccc(cc1)C(=O)OC(C)(C)C
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AA70178
ChemicalName: tert-Butyl 4-(hydroxymethyl)benzoate
CasNumber: 143726-85-6
MolecularFormula: C12H16O3
MolecularWeight: 208.2536
MdlNumber: MFCD04973449
Smiles: OCc1ccc(cc1)C(=O)OC(C)(C)C
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AA70178
ChemicalName:
tert-Butyl 4-(hydroxymethyl)benzoate
CasNumber:
143726-85-6
MolecularFormula:
C12H16O3
MolecularWeight:
208.2536
MdlNumber:
MFCD04973449
Smiles:
OCc1ccc(cc1)C(=O)OC(C)(C)C
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Dy+3].[Dy+3]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Dy+3].[Dy+3]
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=Cc1ccc(nc1NC(=O)OC(C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=Cc1ccc(nc1NC(=O)OC(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: Clc1nc2cnccc2c(=O)[nH]1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1nc2cnccc2c(=O)[nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__