AB75662
3952-66-7 | Methyl 2-oxobutanoate
Manufacturer: A2B Chem
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CatalogNumber
AB75662
ChemicalName
Methyl 2-oxobutanoate
CasNumber
3952-66-7
MolecularFormula
C5H8O3
MolecularWeight
116.1152
MdlNumber
MFCD03093092
Smiles
CCC(=O)C(=O)OC
Complexity
106
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AB75662
ChemicalName: Methyl 2-oxobutanoate
CasNumber: 3952-66-7
MolecularFormula: C5H8O3
MolecularWeight: 116.1152
MdlNumber: MFCD03093092
Smiles: CCC(=O)C(=O)OC
Complexity: 106
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AB75662
ChemicalName:
Methyl 2-oxobutanoate
CasNumber:
3952-66-7
MolecularFormula:
C5H8O3
MolecularWeight:
116.1152
MdlNumber:
MFCD03093092
Smiles:
CCC(=O)C(=O)OC
Complexity:
106
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: AB75663
ChemicalName: Methyl 2-oxocyclooctanecarboxylate
CasNumber: 5452-73-3
MolecularFormula: C10H16O3
MolecularWeight: 184.2322
MdlNumber: MFCD01660390
Smiles: COC(=O)C1CCCCCCC1=O
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB75663
ChemicalName:
Methyl 2-oxocyclooctanecarboxylate
CasNumber:
5452-73-3
MolecularFormula:
C10H16O3
MolecularWeight:
184.2322
MdlNumber:
MFCD01660390
Smiles:
COC(=O)C1CCCCCCC1=O
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AB75664
ChemicalName: Methyl oxindole-4-carboxylate
CasNumber: 90924-46-2
MolecularFormula: C10H9NO3
MolecularWeight: 191.1834
MdlNumber: MFCD08277245
Smiles: COC(=O)c1cccc2c1CC(=O)N2
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AB75664
ChemicalName:
Methyl oxindole-4-carboxylate
CasNumber:
90924-46-2
MolecularFormula:
C10H9NO3
MolecularWeight:
191.1834
MdlNumber:
MFCD08277245
Smiles:
COC(=O)c1cccc2c1CC(=O)N2
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.6
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Smiles: CCCC(=O)C(=O)OC
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Smiles:
CCCC(=O)C(=O)OC
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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