AB44630
759-05-7 | 3-Methyl-2-oxo-butanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44630
ChemicalName
3-Methyl-2-oxo-butanoic acid
CasNumber
759-05-7
MolecularFormula
C5H8O3
MolecularWeight
116.1152
MdlNumber
MFCD00040427
Smiles
CC(C(=O)C(=O)O)C
Complexity
115
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AB44630
ChemicalName: 3-Methyl-2-oxo-butanoic acid
CasNumber: 759-05-7
MolecularFormula: C5H8O3
MolecularWeight: 116.1152
MdlNumber: MFCD00040427
Smiles: CC(C(=O)C(=O)O)C
Complexity: 115
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB44630
ChemicalName:
3-Methyl-2-oxo-butanoic acid
CasNumber:
759-05-7
MolecularFormula:
C5H8O3
MolecularWeight:
116.1152
MdlNumber:
MFCD00040427
Smiles:
CC(C(=O)C(=O)O)C
Complexity:
115
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: AB44631
ChemicalName: 3-Methyl-2-thiophenecarboxaldehyde, tech grade
CasNumber: 5834-16-2
MolecularFormula: C6H6OS
MolecularWeight: 126.1762
MdlNumber: MFCD00005430
Smiles: O=Cc1sccc1C
Complexity: 92.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB44631
ChemicalName:
3-Methyl-2-thiophenecarboxaldehyde, tech grade
CasNumber:
5834-16-2
MolecularFormula:
C6H6OS
MolecularWeight:
126.1762
MdlNumber:
MFCD00005430
Smiles:
O=Cc1sccc1C
Complexity:
92.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AB44632
ChemicalName: 3-Methylthiophene-2-carboxylic acid
CasNumber: 23806-24-8
MolecularFormula: C6H6O2S
MolecularWeight: 142.1756
MdlNumber: MFCD00005438
Smiles: OC(=O)c1sccc1C
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB44632
ChemicalName:
3-Methylthiophene-2-carboxylic acid
CasNumber:
23806-24-8
MolecularFormula:
C6H6O2S
MolecularWeight:
142.1756
MdlNumber:
MFCD00005438
Smiles:
OC(=O)c1sccc1C
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(CC(=O)O)(O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(CC(=O)O)(O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__