AB58326
400858-54-0 | 1-Ethyl-1H-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB58326
ChemicalName
1-Ethyl-1H-pyrazole-4-carboxylic acid
CasNumber
400858-54-0
MolecularFormula
C6H8N2O2
MolecularWeight
140.13992
MdlNumber
MFCD02090883
Smiles
CCn1cc(cn1)C(=O)O
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AB58326
ChemicalName: 1-Ethyl-1H-pyrazole-4-carboxylic acid
CasNumber: 400858-54-0
MolecularFormula: C6H8N2O2
MolecularWeight: 140.13992
MdlNumber: MFCD02090883
Smiles: CCn1cc(cn1)C(=O)O
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AB58326
ChemicalName:
1-Ethyl-1H-pyrazole-4-carboxylic acid
CasNumber:
400858-54-0
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.13992
MdlNumber:
MFCD02090883
Smiles:
CCn1cc(cn1)C(=O)O
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN1CCC(C1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN1CCC(C1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB58329
ChemicalName: 1-Ethylquinaldinium iodide
CasNumber: 606-55-3
MolecularFormula: C12H14IN
MolecularWeight: 299.1507
MdlNumber: MFCD00031829
Smiles: CC[n+]1c(C)ccc2c1cccc2.[I-]
Complexity: 167
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB58329
ChemicalName:
1-Ethylquinaldinium iodide
CasNumber:
606-55-3
MolecularFormula:
C12H14IN
MolecularWeight:
299.1507
MdlNumber:
MFCD00031829
Smiles:
CC[n+]1c(C)ccc2c1cccc2.[I-]
Complexity:
167
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__