AB45888
37687-24-4 | 3,5-Diethyl 1H-pyrazole-3,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB45888
ChemicalName
3,5-Diethyl 1H-pyrazole-3,5-dicarboxylate
CasNumber
37687-24-4
MolecularFormula
C9H12N2O4
MolecularWeight
212.2026
MdlNumber
MFCD00152167
Smiles
CCOC(=O)c1[nH]nc(c1)C(=O)OCC
NscNumber
97126
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.3
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CatalogNumber: AB45888
ChemicalName: 3,5-Diethyl 1H-pyrazole-3,5-dicarboxylate
CasNumber: 37687-24-4
MolecularFormula: C9H12N2O4
MolecularWeight: 212.2026
MdlNumber: MFCD00152167
Smiles: CCOC(=O)c1[nH]nc(c1)C(=O)OCC
NscNumber: 97126
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.3
CatalogNumber:
AB45888
ChemicalName:
3,5-Diethyl 1H-pyrazole-3,5-dicarboxylate
CasNumber:
37687-24-4
MolecularFormula:
C9H12N2O4
MolecularWeight:
212.2026
MdlNumber:
MFCD00152167
Smiles:
CCOC(=O)c1[nH]nc(c1)C(=O)OCC
NscNumber:
97126
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.3
CatalogNumber: AB45889
ChemicalName: Diethyl 4-oxopimelate
CasNumber: 6317-49-3
MolecularFormula: C11H18O5
MolecularWeight: 230.2576
MdlNumber: MFCD00009210
Smiles: CCOC(=O)CCC(=O)CCC(=O)OCC
NscNumber: 39476
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 10
Xlogp3: 0.8
CatalogNumber:
AB45889
ChemicalName:
Diethyl 4-oxopimelate
CasNumber:
6317-49-3
MolecularFormula:
C11H18O5
MolecularWeight:
230.2576
MdlNumber:
MFCD00009210
Smiles:
CCOC(=O)CCC(=O)CCC(=O)OCC
NscNumber:
39476
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
10
Xlogp3:
0.8
CatalogNumber: AB45890
ChemicalName: Diethyl acetylenedicarboxylate
CasNumber: 762-21-0
MolecularFormula: C8H10O4
MolecularWeight: 170.1626
MdlNumber: MFCD00009186
Smiles: CCOC(=O)C#CC(=O)OCC
NscNumber: __
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AB45890
ChemicalName:
Diethyl acetylenedicarboxylate
CasNumber:
762-21-0
MolecularFormula:
C8H10O4
MolecularWeight:
170.1626
MdlNumber:
MFCD00009186
Smiles:
CCOC(=O)C#CC(=O)OCC
NscNumber:
__
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: AB45891
ChemicalName: Diethyl acetylmalonate
CasNumber: 570-08-1
MolecularFormula: C9H14O5
MolecularWeight: 202.2045
MdlNumber: MFCD00026876
Smiles: CCOC(=O)C(C(=O)OCC)C(=O)C
NscNumber: __
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 0.8
CatalogNumber:
AB45891
ChemicalName:
Diethyl acetylmalonate
CasNumber:
570-08-1
MolecularFormula:
C9H14O5
MolecularWeight:
202.2045
MdlNumber:
MFCD00026876
Smiles:
CCOC(=O)C(C(=O)OCC)C(=O)C
NscNumber:
__
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
0.8