AG29616
54043-71-9 | 4-Methoxy-2,2-dimethyl-4-oxobutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG29616
ChemicalName
4-Methoxy-2,2-dimethyl-4-oxobutanoic acid
CasNumber
54043-71-9
MolecularFormula
C7H12O4
MolecularWeight
160.16778000000002
MdlNumber
MFCD16619681
Smiles
COC(=O)CC(C(=O)O)(C)C
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.5
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CatalogNumber: AG29616
ChemicalName: 4-Methoxy-2,2-dimethyl-4-oxobutanoic acid
CasNumber: 54043-71-9
MolecularFormula: C7H12O4
MolecularWeight: 160.16778000000002
MdlNumber: MFCD16619681
Smiles: COC(=O)CC(C(=O)O)(C)C
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.5
CatalogNumber:
AG29616
ChemicalName:
4-Methoxy-2,2-dimethyl-4-oxobutanoic acid
CasNumber:
54043-71-9
MolecularFormula:
C7H12O4
MolecularWeight:
160.16778000000002
MdlNumber:
MFCD16619681
Smiles:
COC(=O)CC(C(=O)O)(C)C
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ocnc1C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ocnc1C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG29618
ChemicalName: 5-Aminothiazole-4-carboxamide
CasNumber: 5539-46-8
MolecularFormula: C4H5N3OS
MolecularWeight: 143.167
MdlNumber: MFCD11848433
Smiles: NC(=O)c1ncsc1N
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AG29618
ChemicalName:
5-Aminothiazole-4-carboxamide
CasNumber:
5539-46-8
MolecularFormula:
C4H5N3OS
MolecularWeight:
143.167
MdlNumber:
MFCD11848433
Smiles:
NC(=O)c1ncsc1N
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: AG29619
ChemicalName: 5-Bromo-1,3-dimethylindazole
CasNumber: 552331-30-3
MolecularFormula: C9H9BrN2
MolecularWeight: 225.0852
MdlNumber: MFCD12028623
Smiles: Brc1ccc2c(c1)c(C)nn2C
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
AG29619
ChemicalName:
5-Bromo-1,3-dimethylindazole
CasNumber:
552331-30-3
MolecularFormula:
C9H9BrN2
MolecularWeight:
225.0852
MdlNumber:
MFCD12028623
Smiles:
Brc1ccc2c(c1)c(C)nn2C
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7