AB67931
816-66-0 | 4-Methyl-2-oxovaleric acid
Manufacturer: A2B Chem
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CatalogNumber
AB67931
ChemicalName
4-Methyl-2-oxovaleric acid
CasNumber
816-66-0
MolecularFormula
C6H10O3
MolecularWeight
130.1418
MdlNumber
MFCD00066204
Smiles
CC(CC(=O)C(=O)O)C
Complexity
126
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.9
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CatalogNumber: AB67931
ChemicalName: 4-Methyl-2-oxovaleric acid
CasNumber: 816-66-0
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD00066204
Smiles: CC(CC(=O)C(=O)O)C
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AB67931
ChemicalName:
4-Methyl-2-oxovaleric acid
CasNumber:
816-66-0
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD00066204
Smiles:
CC(CC(=O)C(=O)O)C
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(/C=C\C(=O)O)C
Complexity: 103
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(/C=C\C(=O)O)C
Complexity:
103
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: AB67933
ChemicalName: 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid
CasNumber: 22300-56-7
MolecularFormula: C10H9N3O2
MolecularWeight: 203.1974
MdlNumber: MFCD00051653
Smiles: OC(=O)c1nn(nc1C)c1ccccc1
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB67933
ChemicalName:
5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid
CasNumber:
22300-56-7
MolecularFormula:
C10H9N3O2
MolecularWeight:
203.1974
MdlNumber:
MFCD00051653
Smiles:
OC(=O)c1nn(nc1C)c1ccccc1
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C/C(=C/C(C)C)/c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C/C(=C/C(C)C)/c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__