AB74587
1085-12-7 | N-Heptyl 4-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB74587
ChemicalName
N-Heptyl 4-hydroxybenzoate
CasNumber
1085-12-7
MolecularFormula
C14H20O3
MolecularWeight
236.3068
MdlNumber
MFCD00016481
Smiles
CCCCCCCOC(=O)c1ccc(cc1)O
NscNumber
309818
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
4.8
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CatalogNumber: AB74587
ChemicalName: N-Heptyl 4-hydroxybenzoate
CasNumber: 1085-12-7
MolecularFormula: C14H20O3
MolecularWeight: 236.3068
MdlNumber: MFCD00016481
Smiles: CCCCCCCOC(=O)c1ccc(cc1)O
NscNumber: 309818
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 4.8
CatalogNumber:
AB74587
ChemicalName:
N-Heptyl 4-hydroxybenzoate
CasNumber:
1085-12-7
MolecularFormula:
C14H20O3
MolecularWeight:
236.3068
MdlNumber:
MFCD00016481
Smiles:
CCCCCCCOC(=O)c1ccc(cc1)O
NscNumber:
309818
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
4.8
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Smiles: CCCCCCCSCCCCCCC
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCCCSCCCCCCC
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Smiles: COc1cc(OC2OC(COC3OC(C)C(C(C3O)O)O)C(C(C2O)O)O)cc(c1C(=O)C=Cc1ccc(c(c1)O)OC)O
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Smiles:
COc1cc(OC2OC(COC3OC(C)C(C(C3O)O)O)C(C(C2O)O)O)cc(c1C(=O)C=Cc1ccc(c(c1)O)OC)O
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCCC#CCO
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Smiles:
CCCC#CCO
NscNumber:
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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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