AB69442
3405-77-4 | 5-Methylisoxazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB69442
ChemicalName
5-Methylisoxazole-3-carboxylic acid
CasNumber
3405-77-4
MolecularFormula
C5H5NO3
MolecularWeight
127.0981
MdlNumber
MFCD01318162
Smiles
Cc1cc(no1)C(=O)O
Complexity
125
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AB69442
ChemicalName: 5-Methylisoxazole-3-carboxylic acid
CasNumber: 3405-77-4
MolecularFormula: C5H5NO3
MolecularWeight: 127.0981
MdlNumber: MFCD01318162
Smiles: Cc1cc(no1)C(=O)O
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AB69442
ChemicalName:
5-Methylisoxazole-3-carboxylic acid
CasNumber:
3405-77-4
MolecularFormula:
C5H5NO3
MolecularWeight:
127.0981
MdlNumber:
MFCD01318162
Smiles:
Cc1cc(no1)C(=O)O
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1oncc1B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1oncc1B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(cnc1)C(=O)N
Complexity: 136
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(cnc1)C(=O)N
Complexity:
136
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.1
CatalogNumber: AB69445
ChemicalName: 5-Methylnicotinic acid
CasNumber: 3222-49-9
MolecularFormula: C7H7NO2
MolecularWeight: 137.136
MdlNumber: MFCD00829036
Smiles: Cc1cc(cnc1)C(=O)O
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AB69445
ChemicalName:
5-Methylnicotinic acid
CasNumber:
3222-49-9
MolecularFormula:
C7H7NO2
MolecularWeight:
137.136
MdlNumber:
MFCD00829036
Smiles:
Cc1cc(cnc1)C(=O)O
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.7