AD53653
28246-87-9 | Ethyl 1-cyanocyclobutane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD53653
ChemicalName
Ethyl 1-cyanocyclobutane-1-carboxylate
CasNumber
28246-87-9
MolecularFormula
C8H11NO2
MolecularWeight
153.1784
MdlNumber
MFCD04114273
Smiles
CCOC(=O)C1(CCC1)C#N
NscNumber
122101
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AD53653
ChemicalName: Ethyl 1-cyanocyclobutane-1-carboxylate
CasNumber: 28246-87-9
MolecularFormula: C8H11NO2
MolecularWeight: 153.1784
MdlNumber: MFCD04114273
Smiles: CCOC(=O)C1(CCC1)C#N
NscNumber: 122101
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AD53653
ChemicalName:
Ethyl 1-cyanocyclobutane-1-carboxylate
CasNumber:
28246-87-9
MolecularFormula:
C8H11NO2
MolecularWeight:
153.1784
MdlNumber:
MFCD04114273
Smiles:
CCOC(=O)C1(CCC1)C#N
NscNumber:
122101
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.3
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Smiles: CC(=O)OC[C@H]1O[C@@H](Sc2ccc(cc2)C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
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Smiles:
CC(=O)OC[C@H]1O[C@@H](Sc2ccc(cc2)C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
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Smiles: COc1ccc(cc1)c1nnc(nn1)c1ccc(cc1)OC
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COc1ccc(cc1)c1nnc(nn1)c1ccc(cc1)OC
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Smiles: [O-]C(=O)C1(CC2CCCCC2)CC23OC3(CC1(C)C)O2
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Smiles:
[O-]C(=O)C1(CC2CCCCC2)CC23OC3(CC1(C)C)O2
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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