AD19689
52328-48-0 | 4-tert-Butyl-2-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD19689
ChemicalName
4-tert-Butyl-2-methoxybenzoic acid
CasNumber
52328-48-0
MolecularFormula
C12H16O3
MolecularWeight
208.2536
MdlNumber
MFCD07778625
Smiles
COc1cc(ccc1C(=O)O)C(C)(C)C
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.3
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CatalogNumber: AD19689
ChemicalName: 4-tert-Butyl-2-methoxybenzoic acid
CasNumber: 52328-48-0
MolecularFormula: C12H16O3
MolecularWeight: 208.2536
MdlNumber: MFCD07778625
Smiles: COc1cc(ccc1C(=O)O)C(C)(C)C
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AD19689
ChemicalName:
4-tert-Butyl-2-methoxybenzoic acid
CasNumber:
52328-48-0
MolecularFormula:
C12H16O3
MolecularWeight:
208.2536
MdlNumber:
MFCD07778625
Smiles:
COc1cc(ccc1C(=O)O)C(C)(C)C
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSCC(=C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSCC(=C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NCCSC1(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NCCSC1(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD19698
ChemicalName: 5-Ethyl-isoxazole-3-carboxylic acid
CasNumber: 52320-59-9
MolecularFormula: C6H7NO3
MolecularWeight: 141.1247
MdlNumber: MFCD05864544
Smiles: CCc1onc(c1)C(=O)O
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AD19698
ChemicalName:
5-Ethyl-isoxazole-3-carboxylic acid
CasNumber:
52320-59-9
MolecularFormula:
C6H7NO3
MolecularWeight:
141.1247
MdlNumber:
MFCD05864544
Smiles:
CCc1onc(c1)C(=O)O
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1