AB06529
20577-61-1 | Methyl acetopyruvate
Manufacturer: A2B Chem
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CatalogNumber
AB06529
ChemicalName
Methyl acetopyruvate
CasNumber
20577-61-1
MolecularFormula
C6H8O4
MolecularWeight
144.1253
MdlNumber
MFCD00043638
Smiles
COC(=O)C(=O)CC(=O)C
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
-0.1
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CatalogNumber: AB06529
ChemicalName: Methyl acetopyruvate
CasNumber: 20577-61-1
MolecularFormula: C6H8O4
MolecularWeight: 144.1253
MdlNumber: MFCD00043638
Smiles: COC(=O)C(=O)CC(=O)C
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: -0.1
CatalogNumber:
AB06529
ChemicalName:
Methyl acetopyruvate
CasNumber:
20577-61-1
MolecularFormula:
C6H8O4
MolecularWeight:
144.1253
MdlNumber:
MFCD00043638
Smiles:
COC(=O)C(=O)CC(=O)C
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
-0.1
CatalogNumber: AB06532
ChemicalName: 1,2-Dihydro-2-oxopyridine-3-carbonitrile
CasNumber: 20577-27-9
MolecularFormula: C6H4N2O
MolecularWeight: 120.1088
MdlNumber: MFCD00661865
Smiles: O=c1c(ccc[nH]1)C#N
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
AB06532
ChemicalName:
1,2-Dihydro-2-oxopyridine-3-carbonitrile
CasNumber:
20577-27-9
MolecularFormula:
C6H4N2O
MolecularWeight:
120.1088
MdlNumber:
MFCD00661865
Smiles:
O=c1c(ccc[nH]1)C#N
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
0.1
CatalogNumber: AB06533
ChemicalName: 2-Bromo-3-cyanopyridine
CasNumber: 20577-26-8
MolecularFormula: C6H3BrN2
MolecularWeight: 183.00542
MdlNumber: MFCD03934061
Smiles: N#Cc1cccnc1Br
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AB06533
ChemicalName:
2-Bromo-3-cyanopyridine
CasNumber:
20577-26-8
MolecularFormula:
C6H3BrN2
MolecularWeight:
183.00542
MdlNumber:
MFCD03934061
Smiles:
N#Cc1cccnc1Br
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: AB06536
ChemicalName: 4-(tert-Butoxycarbonyl)benzoic acid
CasNumber: 20576-82-3
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD04037901
Smiles: O=C(c1ccc(cc1)C(=O)O)OC(C)(C)C
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AB06536
ChemicalName:
4-(tert-Butoxycarbonyl)benzoic acid
CasNumber:
20576-82-3
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD04037901
Smiles:
O=C(c1ccc(cc1)C(=O)O)OC(C)(C)C
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.3