AC11532
870653-45-5 | 4-(4-Phenoxybutoxy)-7h-furo[3,2-g]chromen-7-one
Manufacturer: A2B Chem
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CatalogNumber
AC11532
ChemicalName
4-(4-Phenoxybutoxy)-7h-furo[3,2-g]chromen-7-one
CasNumber
870653-45-5
MolecularFormula
C21H18O5
MolecularWeight
350.3646
MdlNumber
MFCD11114059
Smiles
O=c1ccc2c(o1)cc1c(c2OCCCCOc2ccccc2)cco1
Complexity
499
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
RotatableBondCount
7
Xlogp3
4.7
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CatalogNumber: AC11532
ChemicalName: 4-(4-Phenoxybutoxy)-7h-furo[3,2-g]chromen-7-one
CasNumber: 870653-45-5
MolecularFormula: C21H18O5
MolecularWeight: 350.3646
MdlNumber: MFCD11114059
Smiles: O=c1ccc2c(o1)cc1c(c2OCCCCOc2ccccc2)cco1
Complexity: 499
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
Xlogp3: 4.7
CatalogNumber:
AC11532
ChemicalName:
4-(4-Phenoxybutoxy)-7h-furo[3,2-g]chromen-7-one
CasNumber:
870653-45-5
MolecularFormula:
C21H18O5
MolecularWeight:
350.3646
MdlNumber:
MFCD11114059
Smiles:
O=c1ccc2c(o1)cc1c(c2OCCCCOc2ccccc2)cco1
Complexity:
499
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
Xlogp3:
4.7
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MolecularFormula: __
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Smiles: O[C@@H]1[C@@H](O)[C@H]2O[C@H]2c2c1ccc1c2c2ccccc2cc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
O[C@@H]1[C@@H](O)[C@H]2O[C@H]2c2c1ccc1c2c2ccccc2cc1
Complexity:
__
Covalently-bondedUnitCount:
__
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Smiles: N#Cc1cc(Br)cc2c1[nH]nc2C1CCN(CC1)S(=O)(=O)CC
Complexity: __
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Smiles:
N#Cc1cc(Br)cc2c1[nH]nc2C1CCN(CC1)S(=O)(=O)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CSCCCc1ccccc1
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Smiles:
CSCCCc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__