AA69505
1421-49-4 | 3,5-Di-tert-butyl-4-hydroxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA69505
ChemicalName
3,5-Di-tert-butyl-4-hydroxybenzoic acid
CasNumber
1421-49-4
MolecularFormula
C15H22O3
MolecularWeight
250.3334
MdlNumber
MFCD24369855
Smiles
OC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
4.4
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CatalogNumber: AA69505
ChemicalName: 3,5-Di-tert-butyl-4-hydroxybenzoic acid
CasNumber: 1421-49-4
MolecularFormula: C15H22O3
MolecularWeight: 250.3334
MdlNumber: MFCD24369855
Smiles: OC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 4.4
CatalogNumber:
AA69505
ChemicalName:
3,5-Di-tert-butyl-4-hydroxybenzoic acid
CasNumber:
1421-49-4
MolecularFormula:
C15H22O3
MolecularWeight:
250.3334
MdlNumber:
MFCD24369855
Smiles:
OC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
4.4
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Smiles: O=C1CCn2c1cc1c2cccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C1CCn2c1cc1c2cccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCCOC(=O)Cc1ccc(c(c1)OC)OCC(=O)N(CC)CC
Complexity: __
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HeavyAtomCount: __
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MolecularFormula:
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Smiles:
CCCOC(=O)Cc1ccc(c(c1)OC)OCC(=O)N(CC)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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MolecularFormula: __
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Smiles: NC(C(=O)O)C[C@@H](C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(C(=O)O)C[C@@H](C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__