AB65280
112758-40-4 | 3-Methyl-1H-pyrazole-4-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB65280
ChemicalName
3-Methyl-1H-pyrazole-4-carbaldehyde
CasNumber
112758-40-4
MolecularFormula
C5H6N2O
MolecularWeight
110.1139
MdlNumber
MFCD01313822
Smiles
Cc1n[nH]cc1C=O
Complexity
94.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.1
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CatalogNumber: AB65280
ChemicalName: 3-Methyl-1H-pyrazole-4-carbaldehyde
CasNumber: 112758-40-4
MolecularFormula: C5H6N2O
MolecularWeight: 110.1139
MdlNumber: MFCD01313822
Smiles: Cc1n[nH]cc1C=O
Complexity: 94.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AB65280
ChemicalName:
3-Methyl-1H-pyrazole-4-carbaldehyde
CasNumber:
112758-40-4
MolecularFormula:
C5H6N2O
MolecularWeight:
110.1139
MdlNumber:
MFCD01313822
Smiles:
Cc1n[nH]cc1C=O
Complexity:
94.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCC(C#C)(O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCC(C#C)(O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65282
ChemicalName: 1-Methyl-3-n-octylimidazolium chloride
CasNumber: 64697-40-1
MolecularFormula: C12H23ClN2
MolecularWeight: 230.7774
MdlNumber: MFCD03095432
Smiles: CCCCCCCC[n+]1ccn(c1)C.[Cl-]
Complexity: 136
Covalently-bondedUnitCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: __
CatalogNumber:
AB65282
ChemicalName:
1-Methyl-3-n-octylimidazolium chloride
CasNumber:
64697-40-1
MolecularFormula:
C12H23ClN2
MolecularWeight:
230.7774
MdlNumber:
MFCD03095432
Smiles:
CCCCCCCC[n+]1ccn(c1)C.[Cl-]
Complexity:
136
Covalently-bondedUnitCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
__
CatalogNumber: AB65283
ChemicalName: 3-Methyl-1-pentanol
CasNumber: 589-35-5
MolecularFormula: C6H14O
MolecularWeight: 102.17476
MdlNumber: MFCD00002937
Smiles: OCCC(CC)C
Complexity: 35.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB65283
ChemicalName:
3-Methyl-1-pentanol
CasNumber:
589-35-5
MolecularFormula:
C6H14O
MolecularWeight:
102.17476
MdlNumber:
MFCD00002937
Smiles:
OCCC(CC)C
Complexity:
35.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8