AA87474
16150-45-1 | Diethyl cromoglycate
Manufacturer: A2B Chem
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CatalogNumber
AA87474
ChemicalName
Diethyl cromoglycate
CasNumber
16150-45-1
MolecularFormula
C27H24O11
MolecularWeight
524.4729
MdlNumber
MFCD01762791
Smiles
CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(COc1cccc2c1c(=O)cc(o2)C(=O)OCC)O
Complexity
894
Covalently-bondedUnitCount
1
HeavyAtomCount
38
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
1
RotatableBondCount
12
Xlogp3
3.3
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CatalogNumber: AA87474
ChemicalName: Diethyl cromoglycate
CasNumber: 16150-45-1
MolecularFormula: C27H24O11
MolecularWeight: 524.4729
MdlNumber: MFCD01762791
Smiles: CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(COc1cccc2c1c(=O)cc(o2)C(=O)OCC)O
Complexity: 894
Covalently-bondedUnitCount: 1
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 1
RotatableBondCount: 12
Xlogp3: 3.3
CatalogNumber:
AA87474
ChemicalName:
Diethyl cromoglycate
CasNumber:
16150-45-1
MolecularFormula:
C27H24O11
MolecularWeight:
524.4729
MdlNumber:
MFCD01762791
Smiles:
CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(COc1cccc2c1c(=O)cc(o2)C(=O)OCC)O
Complexity:
894
Covalently-bondedUnitCount:
1
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
1
RotatableBondCount:
12
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: OC(COc1cccc(c1C(=O)C)O)COc1cccc(c1C(=O)C)O
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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Smiles:
OC(COc1cccc(c1C(=O)C)O)COc1cccc(c1C(=O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)CC[C@@]2([C@@H]1CC=C1[C@H]2CC[C@@H](C1(C)C)O)C)C)C
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)CC[C@@]2([C@@H]1CC=C1[C@H]2CC[C@@H](C1(C)C)O)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: C=CC=CC#N
Complexity: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C=CC=CC#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__