AB57015
613-03-6 | 1,2,4-Triacetoxybenzene
Manufacturer: A2B Chem
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CatalogNumber
AB57015
ChemicalName
1,2,4-Triacetoxybenzene
CasNumber
613-03-6
MolecularFormula
C12H12O6
MolecularWeight
252.2201
MdlNumber
MFCD00008700
Smiles
CC(=O)Oc1ccc(c(c1)OC(=O)C)OC(=O)C
NscNumber
2149
Complexity
338
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
RotatableBondCount
6
Xlogp3
1.2
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CatalogNumber: AB57015
ChemicalName: 1,2,4-Triacetoxybenzene
CasNumber: 613-03-6
MolecularFormula: C12H12O6
MolecularWeight: 252.2201
MdlNumber: MFCD00008700
Smiles: CC(=O)Oc1ccc(c(c1)OC(=O)C)OC(=O)C
NscNumber: 2149
Complexity: 338
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
RotatableBondCount: 6
Xlogp3: 1.2
CatalogNumber:
AB57015
ChemicalName:
1,2,4-Triacetoxybenzene
CasNumber:
613-03-6
MolecularFormula:
C12H12O6
MolecularWeight:
252.2201
MdlNumber:
MFCD00008700
Smiles:
CC(=O)Oc1ccc(c(c1)OC(=O)C)OC(=O)C
NscNumber:
2149
Complexity:
338
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
RotatableBondCount:
6
Xlogp3:
1.2
CatalogNumber: AB57016
ChemicalName: 6-Azauracil
CasNumber: 461-89-2
MolecularFormula: C3H3N3O2
MolecularWeight: 113.0748
MdlNumber: MFCD00006456
Smiles: Oc1cnnc(n1)O
NscNumber: 3425
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: -0.6
CatalogNumber:
AB57016
ChemicalName:
6-Azauracil
CasNumber:
461-89-2
MolecularFormula:
C3H3N3O2
MolecularWeight:
113.0748
MdlNumber:
MFCD00006456
Smiles:
Oc1cnnc(n1)O
NscNumber:
3425
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
-0.6
CatalogNumber: AB57017
ChemicalName: [1,2,4]Triazolo[4,3-a]pyrazine
CasNumber: 274-82-8
MolecularFormula: C5H4N4
MolecularWeight: 120.1121
MdlNumber: MFCD10574954
Smiles: n1ccn2c(c1)nnc2
NscNumber: 68466
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
AB57017
ChemicalName:
[1,2,4]Triazolo[4,3-a]pyrazine
CasNumber:
274-82-8
MolecularFormula:
C5H4N4
MolecularWeight:
120.1121
MdlNumber:
MFCD10574954
Smiles:
n1ccn2c(c1)nnc2
NscNumber:
68466
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(c(c1)Br)Br
NscNumber: __
Complexity: 94.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(c(c1)Br)Br
NscNumber:
__
Complexity:
94.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.3