AB73919
93290-12-1 | 5-Formyl-1h-pyrazole-3-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB73919
ChemicalName
5-Formyl-1h-pyrazole-3-carboxylic acid ethyl ester
CasNumber
93290-12-1
MolecularFormula
C7H8N2O3
MolecularWeight
168.15
MdlNumber
MFCD16620106
Smiles
CCOC(=O)c1cc([nH]n1)C=O
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.6
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CatalogNumber: AB73919
ChemicalName: 5-Formyl-1h-pyrazole-3-carboxylic acid ethyl ester
CasNumber: 93290-12-1
MolecularFormula: C7H8N2O3
MolecularWeight: 168.15
MdlNumber: MFCD16620106
Smiles: CCOC(=O)c1cc([nH]n1)C=O
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AB73919
ChemicalName:
5-Formyl-1h-pyrazole-3-carboxylic acid ethyl ester
CasNumber:
93290-12-1
MolecularFormula:
C7H8N2O3
MolecularWeight:
168.15
MdlNumber:
MFCD16620106
Smiles:
CCOC(=O)c1cc([nH]n1)C=O
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: AB73920
ChemicalName: Ethyl 5-hydroxy-1-methyl-1h-pyrazole-3-carboxylate
CasNumber: 51986-17-5
MolecularFormula: C7H10N2O3
MolecularWeight: 170.1659
MdlNumber: MFCD09839084
Smiles: CCOC(=O)c1nn(c(c1)O)C
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.3
CatalogNumber:
AB73920
ChemicalName:
Ethyl 5-hydroxy-1-methyl-1h-pyrazole-3-carboxylate
CasNumber:
51986-17-5
MolecularFormula:
C7H10N2O3
MolecularWeight:
170.1659
MdlNumber:
MFCD09839084
Smiles:
CCOC(=O)c1nn(c(c1)O)C
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.3
CatalogNumber: AB73921
ChemicalName: Ethyl 5-hydroxy-2-methyl-1h-indole-3-carboxylate
CasNumber: 7598-91-6
MolecularFormula: C12H13NO3
MolecularWeight: 219.2365
MdlNumber: MFCD00044575
Smiles: Cc1c(C(=O)OCC)c2c([nH]1)ccc(c2)O
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AB73921
ChemicalName:
Ethyl 5-hydroxy-2-methyl-1h-indole-3-carboxylate
CasNumber:
7598-91-6
MolecularFormula:
C12H13NO3
MolecularWeight:
219.2365
MdlNumber:
MFCD00044575
Smiles:
Cc1c(C(=O)OCC)c2c([nH]1)ccc(c2)O
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: AB73922
ChemicalName: Ethyl 5-hydroxypiperidine-3-carboxylate, HCl
CasNumber: 1207194-49-7
MolecularFormula: C8H16ClNO3
MolecularWeight: 209.6705
MdlNumber: MFCD14585010
Smiles: CCOC(=O)C1CNCC(C1)O.Cl
Complexity: 160
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB73922
ChemicalName:
Ethyl 5-hydroxypiperidine-3-carboxylate, HCl
CasNumber:
1207194-49-7
MolecularFormula:
C8H16ClNO3
MolecularWeight:
209.6705
MdlNumber:
MFCD14585010
Smiles:
CCOC(=O)C1CNCC(C1)O.Cl
Complexity:
160
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
__