AB59721
528-21-2 | 2',3',4'-Trihydroxyacetophenone
Manufacturer: A2B Chem
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CatalogNumber
AB59721
ChemicalName
2',3',4'-Trihydroxyacetophenone
CasNumber
528-21-2
MolecularFormula
C8H8O4
MolecularWeight
168.14672000000002
MdlNumber
MFCD00002193
Smiles
CC(=O)c1ccc(c(c1O)O)O
NscNumber
66553
Complexity
180
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AB59721
ChemicalName: 2',3',4'-Trihydroxyacetophenone
CasNumber: 528-21-2
MolecularFormula: C8H8O4
MolecularWeight: 168.14672000000002
MdlNumber: MFCD00002193
Smiles: CC(=O)c1ccc(c(c1O)O)O
NscNumber: 66553
Complexity: 180
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB59721
ChemicalName:
2',3',4'-Trihydroxyacetophenone
CasNumber:
528-21-2
MolecularFormula:
C8H8O4
MolecularWeight:
168.14672000000002
MdlNumber:
MFCD00002193
Smiles:
CC(=O)c1ccc(c(c1O)O)O
NscNumber:
66553
Complexity:
180
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AB59722
ChemicalName: 2,3,4-Trihydroxybenzoic acid hydrate
CasNumber: 610-02-6
MolecularFormula: C7H6O5
MolecularWeight: 170.11953999999997
MdlNumber: MFCD00002447
Smiles: OC(=O)c1ccc(c(c1O)O)O
NscNumber: 27436
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB59722
ChemicalName:
2,3,4-Trihydroxybenzoic acid hydrate
CasNumber:
610-02-6
MolecularFormula:
C7H6O5
MolecularWeight:
170.11953999999997
MdlNumber:
MFCD00002447
Smiles:
OC(=O)c1ccc(c(c1O)O)O
NscNumber:
27436
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
1
Xlogp3:
1.1
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Smiles: COc1ccc(c(c1OC)OC)C#N
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Smiles: CC(C(=C(C)C)C)C
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MolecularWeight:
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Smiles:
CC(C(=C(C)C)C)C
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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