AA79726
15771-06-9 | 5-(Benzyloxy)-2-(hydroxymethyl)-4h-pyran-4-one
Manufacturer: A2B Chem
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CatalogNumber
AA79726
ChemicalName
5-(Benzyloxy)-2-(hydroxymethyl)-4h-pyran-4-one
CasNumber
15771-06-9
MolecularFormula
C13H12O4
MolecularWeight
232.232
MdlNumber
MFCD01927596
Smiles
OCc1occ(c(=O)c1)OCc1ccccc1
Complexity
337
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AA79726
ChemicalName: 5-(Benzyloxy)-2-(hydroxymethyl)-4h-pyran-4-one
CasNumber: 15771-06-9
MolecularFormula: C13H12O4
MolecularWeight: 232.232
MdlNumber: MFCD01927596
Smiles: OCc1occ(c(=O)c1)OCc1ccccc1
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AA79726
ChemicalName:
5-(Benzyloxy)-2-(hydroxymethyl)-4h-pyran-4-one
CasNumber:
15771-06-9
MolecularFormula:
C13H12O4
MolecularWeight:
232.232
MdlNumber:
MFCD01927596
Smiles:
OCc1occ(c(=O)c1)OCc1ccccc1
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.9
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Smiles: N#CCc1ncc(cc1Cl)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
N#CCc1ncc(cc1Cl)C(F)(F)F
Complexity:
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RotatableBondCount:
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Smiles: N#CCc1sc2c(n1)c(C)ccc2
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Smiles:
N#CCc1sc2c(n1)c(C)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N#CC(c1nc2c(o1)cccc2)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC(c1nc2c(o1)cccc2)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__