AB35188
2879-20-1 | 1,4-Benzodioxan-6-yl methyl ketone
Manufacturer: A2B Chem
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CatalogNumber
AB35188
ChemicalName
1,4-Benzodioxan-6-yl methyl ketone
CasNumber
2879-20-1
MolecularFormula
C10H10O3
MolecularWeight
178.1846
MdlNumber
MFCD00006823
Smiles
CC(=O)c1ccc2c(c1)OCCO2
Complexity
202
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AB35188
ChemicalName: 1,4-Benzodioxan-6-yl methyl ketone
CasNumber: 2879-20-1
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00006823
Smiles: CC(=O)c1ccc2c(c1)OCCO2
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB35188
ChemicalName:
1,4-Benzodioxan-6-yl methyl ketone
CasNumber:
2879-20-1
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00006823
Smiles:
CC(=O)c1ccc2c(c1)OCCO2
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1nc2c([nH]1)n(C)c(=O)n(c2=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1nc2c([nH]1)n(C)c(=O)n(c2=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB35190
ChemicalName: 8-Benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CasNumber: 2879-15-4
MolecularFormula: C14H14N4O2
MolecularWeight: 270.2866
MdlNumber: MFCD00067027
Smiles: Cn1c2[nH]c(nc2c(=O)n(c1=O)C)Cc1ccccc1
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB35190
ChemicalName:
8-Benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CasNumber:
2879-15-4
MolecularFormula:
C14H14N4O2
MolecularWeight:
270.2866
MdlNumber:
MFCD00067027
Smiles:
Cn1c2[nH]c(nc2c(=O)n(c1=O)C)Cc1ccccc1
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c2[nH]c(nc2c(=O)[nH]1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c2[nH]c(nc2c(=O)[nH]1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__