AB53494
17283-81-7 | 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)butan-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB53494
ChemicalName
4-(2,6,6-Trimethylcyclohex-1-en-1-yl)butan-2-one
CasNumber
17283-81-7
MolecularFormula
C13H22O
MolecularWeight
194.3132
MdlNumber
MFCD00456730
Smiles
CC(=O)CCC1=C(C)CCCC1(C)C
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AB53494
ChemicalName: 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)butan-2-one
CasNumber: 17283-81-7
MolecularFormula: C13H22O
MolecularWeight: 194.3132
MdlNumber: MFCD00456730
Smiles: CC(=O)CCC1=C(C)CCCC1(C)C
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AB53494
ChemicalName:
4-(2,6,6-Trimethylcyclohex-1-en-1-yl)butan-2-one
CasNumber:
17283-81-7
MolecularFormula:
C13H22O
MolecularWeight:
194.3132
MdlNumber:
MFCD00456730
Smiles:
CC(=O)CCC1=C(C)CCCC1(C)C
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7
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Smiles: Brc1ccc(cc1)C(=O)COC(=O)c1cc(=O)[nH]c2c1cc(Br)cc2
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
Brc1ccc(cc1)C(=O)COC(=O)c1cc(=O)[nH]c2c1cc(Br)cc2
Complexity:
__
Covalently-bondedUnitCount:
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Smiles: OC(=O)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2
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Smiles:
OC(=O)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)c1ccc([se]1)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc([se]1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__