AA83539
1620-64-0 | Ethyl 3,5-di-tert-butyl-4-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA83539
ChemicalName
Ethyl 3,5-di-tert-butyl-4-hydroxybenzoate
CasNumber
1620-64-0
MolecularFormula
C17H26O3
MolecularWeight
278.3865
MdlNumber
MFCD00429213
Smiles
CCOC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
5.1
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CatalogNumber: AA83539
ChemicalName: Ethyl 3,5-di-tert-butyl-4-hydroxybenzoate
CasNumber: 1620-64-0
MolecularFormula: C17H26O3
MolecularWeight: 278.3865
MdlNumber: MFCD00429213
Smiles: CCOC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 5.1
CatalogNumber:
AA83539
ChemicalName:
Ethyl 3,5-di-tert-butyl-4-hydroxybenzoate
CasNumber:
1620-64-0
MolecularFormula:
C17H26O3
MolecularWeight:
278.3865
MdlNumber:
MFCD00429213
Smiles:
CCOC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
5.1
CatalogNumber: AA83541
ChemicalName: 1-Phenyl-2-(pyridin-4-yl)ethanone
CasNumber: 1620-55-9
MolecularFormula: C13H11NO
MolecularWeight: 197.2325
MdlNumber: MFCD00234969
Smiles: O=C(c1ccccc1)Cc1ccncc1
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AA83541
ChemicalName:
1-Phenyl-2-(pyridin-4-yl)ethanone
CasNumber:
1620-55-9
MolecularFormula:
C13H11NO
MolecularWeight:
197.2325
MdlNumber:
MFCD00234969
Smiles:
O=C(c1ccccc1)Cc1ccncc1
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)Cc1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)Cc1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__