AA99597
17696-62-7 | Phenyl 4-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA99597
ChemicalName
Phenyl 4-hydroxybenzoate
CasNumber
17696-62-7
MolecularFormula
C13H10O3
MolecularWeight
214.2167
MdlNumber
MFCD00016467
Smiles
Oc1ccc(cc1)C(=O)Oc1ccccc1
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AA99597
ChemicalName: Phenyl 4-hydroxybenzoate
CasNumber: 17696-62-7
MolecularFormula: C13H10O3
MolecularWeight: 214.2167
MdlNumber: MFCD00016467
Smiles: Oc1ccc(cc1)C(=O)Oc1ccccc1
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA99597
ChemicalName:
Phenyl 4-hydroxybenzoate
CasNumber:
17696-62-7
MolecularFormula:
C13H10O3
MolecularWeight:
214.2167
MdlNumber:
MFCD00016467
Smiles:
Oc1ccc(cc1)C(=O)Oc1ccccc1
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AA99598
ChemicalName: 4-Hydroxybenzoic acid sec-butyl ester
CasNumber: 17696-61-6
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD00059626
Smiles: CCC(OC(=O)c1ccc(cc1)O)C
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AA99598
ChemicalName:
4-Hydroxybenzoic acid sec-butyl ester
CasNumber:
17696-61-6
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD00059626
Smiles:
CCC(OC(=O)c1ccc(cc1)O)C
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.7
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Smiles: CCOc1ccc(cc1)/N=C/c1ccc(cc1)/C=N/c1ccc(cc1)OCC
Complexity: __
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Smiles:
CCOc1ccc(cc1)/N=C/c1ccc(cc1)/C=N/c1ccc(cc1)OCC
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Smiles: Cc1cc(c(cc1O)C)C(C)(C)C
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Smiles:
Cc1cc(c(cc1O)C)C(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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