AB45135
37718-11-9 | 1H-Pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45135
ChemicalName
1H-Pyrazole-4-carboxylic acid
CasNumber
37718-11-9
MolecularFormula
C4H4N2O2
MolecularWeight
112.0868
MdlNumber
MFCD00011558
Smiles
OC(=O)c1c[nH]nc1
Complexity
104
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.3
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CatalogNumber: AB45135
ChemicalName: 1H-Pyrazole-4-carboxylic acid
CasNumber: 37718-11-9
MolecularFormula: C4H4N2O2
MolecularWeight: 112.0868
MdlNumber: MFCD00011558
Smiles: OC(=O)c1c[nH]nc1
Complexity: 104
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.3
CatalogNumber:
AB45135
ChemicalName:
1H-Pyrazole-4-carboxylic acid
CasNumber:
37718-11-9
MolecularFormula:
C4H4N2O2
MolecularWeight:
112.0868
MdlNumber:
MFCD00011558
Smiles:
OC(=O)c1c[nH]nc1
Complexity:
104
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.3
CatalogNumber: AB45136
ChemicalName: Pyridazine-4-carboxylic acid
CasNumber: 50681-25-9
MolecularFormula: C5H4N2O2
MolecularWeight: 124.0975
MdlNumber: MFCD00011576
Smiles: OC(=O)c1ccnnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB45136
ChemicalName:
Pyridazine-4-carboxylic acid
CasNumber:
50681-25-9
MolecularFormula:
C5H4N2O2
MolecularWeight:
124.0975
MdlNumber:
MFCD00011576
Smiles:
OC(=O)c1ccnnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45137
ChemicalName: 4-Pyridylacetic acid, HCl
CasNumber: 6622-91-9
MolecularFormula: C7H8ClNO2
MolecularWeight: 173.5969
MdlNumber: MFCD00012827
Smiles: OC(=O)Cc1ccncc1.Cl
Complexity: 119
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB45137
ChemicalName:
4-Pyridylacetic acid, HCl
CasNumber:
6622-91-9
MolecularFormula:
C7H8ClNO2
MolecularWeight:
173.5969
MdlNumber:
MFCD00012827
Smiles:
OC(=O)Cc1ccncc1.Cl
Complexity:
119
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB45138
ChemicalName: 4-Pyridinecarboxaldehyde
CasNumber: 872-85-5
MolecularFormula: C6H5NO
MolecularWeight: 107.11
MdlNumber: MFCD00006425
Smiles: O=Cc1ccncc1
Complexity: 76.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB45138
ChemicalName:
4-Pyridinecarboxaldehyde
CasNumber:
872-85-5
MolecularFormula:
C6H5NO
MolecularWeight:
107.11
MdlNumber:
MFCD00006425
Smiles:
O=Cc1ccncc1
Complexity:
76.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
0.4