AG65605
630399-84-7 | 4-Cyclopropyl-3-oxo-butyric acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG65605
ChemicalName
4-Cyclopropyl-3-oxo-butyric acid ethyl ester
CasNumber
630399-84-7
MolecularFormula
C9H14O3
MolecularWeight
170.2057
MdlNumber
MFCD06656674
Smiles
CCOC(=O)CC(=O)CC1CC1
Complexity
182
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
6
Xlogp3
1.3
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CatalogNumber: AG65605
ChemicalName: 4-Cyclopropyl-3-oxo-butyric acid ethyl ester
CasNumber: 630399-84-7
MolecularFormula: C9H14O3
MolecularWeight: 170.2057
MdlNumber: MFCD06656674
Smiles: CCOC(=O)CC(=O)CC1CC1
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
Xlogp3: 1.3
CatalogNumber:
AG65605
ChemicalName:
4-Cyclopropyl-3-oxo-butyric acid ethyl ester
CasNumber:
630399-84-7
MolecularFormula:
C9H14O3
MolecularWeight:
170.2057
MdlNumber:
MFCD06656674
Smiles:
CCOC(=O)CC(=O)CC1CC1
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
Xlogp3:
1.3
CatalogNumber: AG65606
ChemicalName: Methyl 5-amino-2-fluorobenzoate
CasNumber: 56741-34-5
MolecularFormula: C8H8FNO2
MolecularWeight: 169.15302319999998
MdlNumber: MFCD09037918
Smiles: COC(=O)c1cc(N)ccc1F
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AG65606
ChemicalName:
Methyl 5-amino-2-fluorobenzoate
CasNumber:
56741-34-5
MolecularFormula:
C8H8FNO2
MolecularWeight:
169.15302319999998
MdlNumber:
MFCD09037918
Smiles:
COC(=O)c1cc(N)ccc1F
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AG65607
ChemicalName: 4-(Dimethylamino)cyclohexanol
CasNumber: 61168-09-0
MolecularFormula: C8H17NO
MolecularWeight: 143.2267
MdlNumber: MFCD09037891
Smiles: OC1CCC(CC1)N(C)C
Complexity: 95.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AG65607
ChemicalName:
4-(Dimethylamino)cyclohexanol
CasNumber:
61168-09-0
MolecularFormula:
C8H17NO
MolecularWeight:
143.2267
MdlNumber:
MFCD09037891
Smiles:
OC1CCC(CC1)N(C)C
Complexity:
95.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: __
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Smiles: Nc1ccnc2c1cccc2Cl
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
Nc1ccnc2c1cccc2Cl
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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