AA63548
145576-28-9 | Ethyl 4-methylidenecyclohexane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA63548
ChemicalName
Ethyl 4-methylidenecyclohexane-1-carboxylate
CasNumber
145576-28-9
MolecularFormula
C10H16O2
MolecularWeight
168.23284000000004
MdlNumber
MFCD12498694
Smiles
CCOC(=O)C1CCC(=C)CC1
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AA63548
ChemicalName: Ethyl 4-methylidenecyclohexane-1-carboxylate
CasNumber: 145576-28-9
MolecularFormula: C10H16O2
MolecularWeight: 168.23284000000004
MdlNumber: MFCD12498694
Smiles: CCOC(=O)C1CCC(=C)CC1
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AA63548
ChemicalName:
Ethyl 4-methylidenecyclohexane-1-carboxylate
CasNumber:
145576-28-9
MolecularFormula:
C10H16O2
MolecularWeight:
168.23284000000004
MdlNumber:
MFCD12498694
Smiles:
CCOC(=O)C1CCC(=C)CC1
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
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Smiles: CCC(C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](OC(=O)C)CC(=O)O1)[C@H](C=C2)C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CCC(C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](OC(=O)C)CC(=O)O1)[C@H](C=C2)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCc1ncc([nH]1)Br
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Smiles:
CCc1ncc([nH]1)Br
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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Smiles: CC(c1cc(cc(c1S(=O)(=O)NN=C([Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F)C(C)C)C(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(c1cc(cc(c1S(=O)(=O)NN=C([Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F)C(C)C)C(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__