AI56968
845617-56-3 | 2-(Cyclopropylmethoxy)-5-(isopropylsulfonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI56968
ChemicalName
2-(Cyclopropylmethoxy)-5-(isopropylsulfonyl)benzoic acid
CasNumber
845617-56-3
MolecularFormula
C14H18O5S
MolecularWeight
298.3547
MdlNumber
MFCD28991864
Smiles
OC(=O)c1cc(ccc1OCC1CC1)S(=O)(=O)C(C)C
Complexity
447
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2.2
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CatalogNumber: AI56968
ChemicalName: 2-(Cyclopropylmethoxy)-5-(isopropylsulfonyl)benzoic acid
CasNumber: 845617-56-3
MolecularFormula: C14H18O5S
MolecularWeight: 298.3547
MdlNumber: MFCD28991864
Smiles: OC(=O)c1cc(ccc1OCC1CC1)S(=O)(=O)C(C)C
Complexity: 447
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.2
CatalogNumber:
AI56968
ChemicalName:
2-(Cyclopropylmethoxy)-5-(isopropylsulfonyl)benzoic acid
CasNumber:
845617-56-3
MolecularFormula:
C14H18O5S
MolecularWeight:
298.3547
MdlNumber:
MFCD28991864
Smiles:
OC(=O)c1cc(ccc1OCC1CC1)S(=O)(=O)C(C)C
Complexity:
447
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.2
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Smiles: CCOC(=O)c1ccc(cc1)NCC(=O)OC(C)(C)C
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CCOC(=O)c1ccc(cc1)NCC(=O)OC(C)(C)C
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Smiles: O=C1OCCC21CCC2
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O=C1OCCC21CCC2
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Smiles: N#CC(C(=O)O)Cc1ccc(cc1)C
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Smiles:
N#CC(C(=O)O)Cc1ccc(cc1)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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