AB47495
83405-71-4 | 5-tert-Butyl-1H-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AB47495
ChemicalName
5-tert-Butyl-1H-pyrazole-3-carboxylic acid
CasNumber
83405-71-4
MolecularFormula
C8H12N2O2
MolecularWeight
168.1931
MdlNumber
MFCD00462163
Smiles
OC(=O)c1[nH]nc(c1)C(C)(C)C
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.8
Compare Similar Items
Show Difference
CatalogNumber: AB47495
ChemicalName: 5-tert-Butyl-1H-pyrazole-3-carboxylic acid
CasNumber: 83405-71-4
MolecularFormula: C8H12N2O2
MolecularWeight: 168.1931
MdlNumber: MFCD00462163
Smiles: OC(=O)c1[nH]nc(c1)C(C)(C)C
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB47495
ChemicalName:
5-tert-Butyl-1H-pyrazole-3-carboxylic acid
CasNumber:
83405-71-4
MolecularFormula:
C8H12N2O2
MolecularWeight:
168.1931
MdlNumber:
MFCD00462163
Smiles:
OC(=O)c1[nH]nc(c1)C(C)(C)C
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cn1cnc2c1cccc2
Complexity: 208
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cn1cnc2c1cccc2
Complexity:
208
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AB47497
ChemicalName: 3-Methyl-5-isoxazoleacetic acid
CasNumber: 19668-85-0
MolecularFormula: C6H7NO3
MolecularWeight: 141.1247
MdlNumber: MFCD01863539
Smiles: Cc1cc(on1)CC(=O)O
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB47497
ChemicalName:
3-Methyl-5-isoxazoleacetic acid
CasNumber:
19668-85-0
MolecularFormula:
C6H7NO3
MolecularWeight:
141.1247
MdlNumber:
MFCD01863539
Smiles:
Cc1cc(on1)CC(=O)O
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: AB47498
ChemicalName: 4-Methylpyridine-2-carboxylic acid
CasNumber: 4021-08-3
MolecularFormula: C7H7NO2
MolecularWeight: 137.13598
MdlNumber: MFCD03731175
Smiles: Cc1cc(ncc1)C(=O)O
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB47498
ChemicalName:
4-Methylpyridine-2-carboxylic acid
CasNumber:
4021-08-3
MolecularFormula:
C7H7NO2
MolecularWeight:
137.13598
MdlNumber:
MFCD03731175
Smiles:
Cc1cc(ncc1)C(=O)O
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1