AI53030
58186-27-9 | 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Manufacturer: A2B Chem
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CatalogNumber
AI53030
ChemicalName
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CasNumber
58186-27-9
MolecularFormula
C19H30O5
MolecularWeight
338.4385
MdlNumber
MFCD00274552
Smiles
OCCCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC
NscNumber
759228
Complexity
502
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
12
Xlogp3
4.3
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CatalogNumber: AI53030
ChemicalName: 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CasNumber: 58186-27-9
MolecularFormula: C19H30O5
MolecularWeight: 338.4385
MdlNumber: MFCD00274552
Smiles: OCCCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC
NscNumber: 759228
Complexity: 502
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 12
Xlogp3: 4.3
CatalogNumber:
AI53030
ChemicalName:
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CasNumber:
58186-27-9
MolecularFormula:
C19H30O5
MolecularWeight:
338.4385
MdlNumber:
MFCD00274552
Smiles:
OCCCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC
NscNumber:
759228
Complexity:
502
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
12
Xlogp3:
4.3
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Smiles: C1=CC=C(C(=C1)C=CCBr)Cl
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C1=CC=C(C(=C1)C=CCBr)Cl
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NC(=S)Cc1cccs1
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Smiles: CC(CC(=O)c1ccccc1)C
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(CC(=O)c1ccccc1)C
NscNumber:
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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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Xlogp3:
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