AB60042
480-66-0 | 2',4',6'-Trihydroxyacetophenone
Manufacturer: A2B Chem
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CatalogNumber
AB60042
ChemicalName
2',4',6'-Trihydroxyacetophenone
CasNumber
480-66-0
MolecularFormula
C8H8O4
MolecularWeight
168.1467
MdlNumber
MFCD00149091
Smiles
CC(=O)c1c(O)cc(cc1O)O
NscNumber
54927
Complexity
168
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AB60042
ChemicalName: 2',4',6'-Trihydroxyacetophenone
CasNumber: 480-66-0
MolecularFormula: C8H8O4
MolecularWeight: 168.1467
MdlNumber: MFCD00149091
Smiles: CC(=O)c1c(O)cc(cc1O)O
NscNumber: 54927
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB60042
ChemicalName:
2',4',6'-Trihydroxyacetophenone
CasNumber:
480-66-0
MolecularFormula:
C8H8O4
MolecularWeight:
168.1467
MdlNumber:
MFCD00149091
Smiles:
CC(=O)c1c(O)cc(cc1O)O
NscNumber:
54927
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AB60043
ChemicalName: 2,4,6-Trihydroxybenzoic acid
CasNumber: 83-30-7
MolecularFormula: C7H6O5
MolecularWeight: 170.1195
MdlNumber: MFCD00002453
Smiles: Oc1cc(O)c(c(c1)O)C(=O)O
NscNumber: 36720
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB60043
ChemicalName:
2,4,6-Trihydroxybenzoic acid
CasNumber:
83-30-7
MolecularFormula:
C7H6O5
MolecularWeight:
170.1195
MdlNumber:
MFCD00002453
Smiles:
Oc1cc(O)c(c(c1)O)C(=O)O
NscNumber:
36720
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
1
Xlogp3:
1.8
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Smiles: Oc1cc(O)c(c(c1)O)C(=O)O.O
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Complexity: __
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Smiles:
Oc1cc(O)c(c(c1)O)C(=O)O.O
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HeavyAtomCount:
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Smiles: Ic1cc(I)c(c(c1)I)O
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MolecularFormula:
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MolecularWeight:
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Smiles:
Ic1cc(I)c(c(c1)I)O
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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