AA17053
116856-18-9 | 5-Formamide-1-(2-formyloxyethl)pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AA17053
ChemicalName
5-Formamide-1-(2-formyloxyethl)pyrazole
CasNumber
116856-18-9
MolecularFormula
C7H9N3O3
MolecularWeight
183.1647
MdlNumber
MFCD09744040
Smiles
O=COCCn1nccc1NC=O
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
-0.4
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CatalogNumber: AA17053
ChemicalName: 5-Formamide-1-(2-formyloxyethl)pyrazole
CasNumber: 116856-18-9
MolecularFormula: C7H9N3O3
MolecularWeight: 183.1647
MdlNumber: MFCD09744040
Smiles: O=COCCn1nccc1NC=O
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: -0.4
CatalogNumber:
AA17053
ChemicalName:
5-Formamide-1-(2-formyloxyethl)pyrazole
CasNumber:
116856-18-9
MolecularFormula:
C7H9N3O3
MolecularWeight:
183.1647
MdlNumber:
MFCD09744040
Smiles:
O=COCCn1nccc1NC=O
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCS(=O)(=O)Nc1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCS(=O)(=O)Nc1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1nc(c2c1nccc2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1nc(c2c1nccc2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA17059
ChemicalName: 1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid
CasNumber: 116855-08-4
MolecularFormula: C7H5N3O2
MolecularWeight: 163.1335
MdlNumber: MFCD11040725
Smiles: OC(=O)c1n[nH]c2c1cccn2
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AA17059
ChemicalName:
1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid
CasNumber:
116855-08-4
MolecularFormula:
C7H5N3O2
MolecularWeight:
163.1335
MdlNumber:
MFCD11040725
Smiles:
OC(=O)c1n[nH]c2c1cccn2
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.7