AF33913
24463-41-0 | 1-Methyl-4-oxocyclohexanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF33913
ChemicalName
1-Methyl-4-oxocyclohexanecarboxylic acid
CasNumber
24463-41-0
MolecularFormula
C8H12O3
MolecularWeight
156.1791
MdlNumber
MFCD18374767
Smiles
O=C1CCC(CC1)(C)C(=O)O
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.3
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CatalogNumber: AF33913
ChemicalName: 1-Methyl-4-oxocyclohexanecarboxylic acid
CasNumber: 24463-41-0
MolecularFormula: C8H12O3
MolecularWeight: 156.1791
MdlNumber: MFCD18374767
Smiles: O=C1CCC(CC1)(C)C(=O)O
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AF33913
ChemicalName:
1-Methyl-4-oxocyclohexanecarboxylic acid
CasNumber:
24463-41-0
MolecularFormula:
C8H12O3
MolecularWeight:
156.1791
MdlNumber:
MFCD18374767
Smiles:
O=C1CCC(CC1)(C)C(=O)O
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cnc(s1)c1ccncc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=Cc1cnc(s1)c1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Oc1cc(=O)[nH]c(=O)[nH]1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
Oc1cc(=O)[nH]c(=O)[nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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MdlNumber: __
Smiles: Cc1ncc(c(c1)N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
Cc1ncc(c(c1)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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