AB45934
4077-76-3 | Dimethyl 1H-pyrazole-3,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB45934
ChemicalName
Dimethyl 1H-pyrazole-3,5-dicarboxylate
CasNumber
4077-76-3
MolecularFormula
C7H8N2O4
MolecularWeight
184.1494
MdlNumber
MFCD00975602
Smiles
COC(=O)c1[nH]nc(c1)C(=O)OC
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.6
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CatalogNumber: AB45934
ChemicalName: Dimethyl 1H-pyrazole-3,5-dicarboxylate
CasNumber: 4077-76-3
MolecularFormula: C7H8N2O4
MolecularWeight: 184.1494
MdlNumber: MFCD00975602
Smiles: COC(=O)c1[nH]nc(c1)C(=O)OC
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AB45934
ChemicalName:
Dimethyl 1H-pyrazole-3,5-dicarboxylate
CasNumber:
4077-76-3
MolecularFormula:
C7H8N2O4
MolecularWeight:
184.1494
MdlNumber:
MFCD00975602
Smiles:
COC(=O)c1[nH]nc(c1)C(=O)OC
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: AB45935
ChemicalName: Dimethyl pyridine-2,3-dicarboxylate
CasNumber: 605-38-9
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD00186549
Smiles: COC(=O)c1ncccc1C(=O)OC
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AB45935
ChemicalName:
Dimethyl pyridine-2,3-dicarboxylate
CasNumber:
605-38-9
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD00186549
Smiles:
COC(=O)c1ncccc1C(=O)OC
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCC(=O)OC
Complexity: 114
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCC(=O)OC
Complexity:
114
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [2H]C(S(=O)C([2H])([2H])[2H])([2H])[2H]
Complexity: 29
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[2H]C(S(=O)C([2H])([2H])[2H])([2H])[2H]
Complexity:
29
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.6