AI49282
379250-83-6 | 4-[(3,5-Dimethylisoxazol-4-yl)methoxy]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI49282
ChemicalName
4-[(3,5-Dimethylisoxazol-4-yl)methoxy]benzoic acid
CasNumber
379250-83-6
MolecularFormula
C13H13NO4
MolecularWeight
247.2466
MdlNumber
MFCD28501978
Smiles
OC(=O)c1ccc(cc1)OCc1c(C)noc1C
Complexity
289
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AI49282
ChemicalName: 4-[(3,5-Dimethylisoxazol-4-yl)methoxy]benzoic acid
CasNumber: 379250-83-6
MolecularFormula: C13H13NO4
MolecularWeight: 247.2466
MdlNumber: MFCD28501978
Smiles: OC(=O)c1ccc(cc1)OCc1c(C)noc1C
Complexity: 289
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AI49282
ChemicalName:
4-[(3,5-Dimethylisoxazol-4-yl)methoxy]benzoic acid
CasNumber:
379250-83-6
MolecularFormula:
C13H13NO4
MolecularWeight:
247.2466
MdlNumber:
MFCD28501978
Smiles:
OC(=O)c1ccc(cc1)OCc1c(C)noc1C
Complexity:
289
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2
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MolecularFormula: __
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Smiles: Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)O
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Smiles: Sc1nnc(s1)Nc1cccc(c1C)C
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Smiles:
Sc1nnc(s1)Nc1cccc(c1C)C
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Smiles: NNC(=O)Cc1cn2c(n1)scc2
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ChemicalName:
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CasNumber:
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MolecularWeight:
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Smiles:
NNC(=O)Cc1cn2c(n1)scc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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