AB47497
19668-85-0 | 3-Methyl-5-isoxazoleacetic acid
Manufacturer: A2B Chem
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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
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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
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc2c(c1)[nH]nc2
Complexity: 196
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2c(c1)[nH]nc2
Complexity:
196
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1n[nH]cn1
Complexity: 105
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1n[nH]cn1
Complexity:
105
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2