AD31231
4027-59-2 | 5-Ethyl-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD31231
ChemicalName
5-Ethyl-1h-pyrazole-3-carboxylic acid
CasNumber
4027-59-2
MolecularFormula
C6H8N2O2
MolecularWeight
140.1399
MdlNumber
MFCD06742804
Smiles
CCc1[nH]nc(c1)C(=O)O
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AD31231
ChemicalName: 5-Ethyl-1h-pyrazole-3-carboxylic acid
CasNumber: 4027-59-2
MolecularFormula: C6H8N2O2
MolecularWeight: 140.1399
MdlNumber: MFCD06742804
Smiles: CCc1[nH]nc(c1)C(=O)O
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AD31231
ChemicalName:
5-Ethyl-1h-pyrazole-3-carboxylic acid
CasNumber:
4027-59-2
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.1399
MdlNumber:
MFCD06742804
Smiles:
CCc1[nH]nc(c1)C(=O)O
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: AD31235
ChemicalName: Thieno[3,2-b]thiophene-2-carbonitrile
CasNumber: 40985-58-8
MolecularFormula: C7H3NS2
MolecularWeight: 165.2354
MdlNumber: MFCD08059461
Smiles: N#Cc1sc2c(c1)scc2
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
AD31235
ChemicalName:
Thieno[3,2-b]thiophene-2-carbonitrile
CasNumber:
40985-58-8
MolecularFormula:
C7H3NS2
MolecularWeight:
165.2354
MdlNumber:
MFCD08059461
Smiles:
N#Cc1sc2c(c1)scc2
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1C(OCc2ccccc2)[C@@H](OCc2ccccc2)OC2[C@H]1OC(OC2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1C(OCc2ccccc2)[C@@H](OCc2ccccc2)OC2[C@H]1OC(OC2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1c(I)c(C(=O)O)c(c(c1I)C(=O)O)I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1c(I)c(C(=O)O)c(c(c1I)C(=O)O)I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__