AA97157
1818-27-5 | 1-(2,4,5-Trihydroxyphenyl)ethanone
Manufacturer: A2B Chem
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CatalogNumber
AA97157
ChemicalName
1-(2,4,5-Trihydroxyphenyl)ethanone
CasNumber
1818-27-5
MolecularFormula
C8H8O4
MolecularWeight
168.1467
MdlNumber
MFCD00601422
Smiles
Oc1cc(C(=O)C)c(cc1O)O
NscNumber
57601
Complexity
180
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AA97157
ChemicalName: 1-(2,4,5-Trihydroxyphenyl)ethanone
CasNumber: 1818-27-5
MolecularFormula: C8H8O4
MolecularWeight: 168.1467
MdlNumber: MFCD00601422
Smiles: Oc1cc(C(=O)C)c(cc1O)O
NscNumber: 57601
Complexity: 180
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AA97157
ChemicalName:
1-(2,4,5-Trihydroxyphenyl)ethanone
CasNumber:
1818-27-5
MolecularFormula:
C8H8O4
MolecularWeight:
168.1467
MdlNumber:
MFCD00601422
Smiles:
Oc1cc(C(=O)C)c(cc1O)O
NscNumber:
57601
Complexity:
180
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
1.1
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Smiles: CCCCCCCCOc1ccccc1
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Smiles:
CCCCCCCCOc1ccccc1
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Smiles: FC(Oc1ccc(nc1)C(=O)Nc1csc(n1)[C@@]12CO[C@H](C[C@H]2CSC(=N1)N)C)F
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Smiles:
FC(Oc1ccc(nc1)C(=O)Nc1csc(n1)[C@@]12CO[C@H](C[C@H]2CSC(=N1)N)C)F
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=N
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Complexity: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__