AE83752
153559-45-6 | Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE83752
ChemicalName
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate
CasNumber
153559-45-6
MolecularFormula
C24H28O3
MolecularWeight
364.4773
MdlNumber
MFCD12828199
Smiles
COC(=O)c1ccc(cc1)C(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Complexity
568
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
6.6
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CatalogNumber: AE83752
ChemicalName: Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate
CasNumber: 153559-45-6
MolecularFormula: C24H28O3
MolecularWeight: 364.4773
MdlNumber: MFCD12828199
Smiles: COC(=O)c1ccc(cc1)C(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Complexity: 568
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 6.6
CatalogNumber:
AE83752
ChemicalName:
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate
CasNumber:
153559-45-6
MolecularFormula:
C24H28O3
MolecularWeight:
364.4773
MdlNumber:
MFCD12828199
Smiles:
COC(=O)c1ccc(cc1)C(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Complexity:
568
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
6.6
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Smiles: CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)O)C
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Smiles:
CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)O)C
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Smiles: N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1
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Smiles:
N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1
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Smiles: C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2C)O
Complexity: __
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Smiles:
C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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