AD33892
89603-60-1 | 5-Hydroxy-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD33892
ChemicalName
5-Hydroxy-1h-pyrazole-3-carboxylic acid
CasNumber
89603-60-1
MolecularFormula
C4H4N2O3
MolecularWeight
128.08616
MdlNumber
MFCD12195917
Smiles
OC(=O)c1n[nH]c(c1)O
Complexity
196
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
-0.5
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CatalogNumber: AD33892
ChemicalName: 5-Hydroxy-1h-pyrazole-3-carboxylic acid
CasNumber: 89603-60-1
MolecularFormula: C4H4N2O3
MolecularWeight: 128.08616
MdlNumber: MFCD12195917
Smiles: OC(=O)c1n[nH]c(c1)O
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: -0.5
CatalogNumber:
AD33892
ChemicalName:
5-Hydroxy-1h-pyrazole-3-carboxylic acid
CasNumber:
89603-60-1
MolecularFormula:
C4H4N2O3
MolecularWeight:
128.08616
MdlNumber:
MFCD12195917
Smiles:
OC(=O)c1n[nH]c(c1)O
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(c(c1)N(=O)=O)C
Complexity: 157
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(c(c1)N(=O)=O)C
Complexity:
157
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1N1C(=O)C=CC1=O)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1N1C(=O)C=CC1=O)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1c(F)cccc1c1ccccc1
Complexity: 248
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c(F)cccc1c1ccccc1
Complexity:
248
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2