AI01959
939-62-8 | tert-butyl thiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI01959
ChemicalName
tert-butyl thiophene-2-carboxylate
CasNumber
939-62-8
MolecularFormula
C9H12O2S
MolecularWeight
184.2554
MdlNumber
MFCD18909502
Smiles
O=C(c1cccs1)OC(C)(C)C
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AI01959
ChemicalName: tert-butyl thiophene-2-carboxylate
CasNumber: 939-62-8
MolecularFormula: C9H12O2S
MolecularWeight: 184.2554
MdlNumber: MFCD18909502
Smiles: O=C(c1cccs1)OC(C)(C)C
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AI01959
ChemicalName:
tert-butyl thiophene-2-carboxylate
CasNumber:
939-62-8
MolecularFormula:
C9H12O2S
MolecularWeight:
184.2554
MdlNumber:
MFCD18909502
Smiles:
O=C(c1cccs1)OC(C)(C)C
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.9
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Smiles: COc1ccc(nn1)C=O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
COc1ccc(nn1)C=O
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RotatableBondCount:
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Smiles: CCCN1CN(CO)C(=O)N(C1)CO
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Smiles:
CCCN1CN(CO)C(=O)N(C1)CO
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RotatableBondCount:
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Smiles: Clc1cccc2c1ccc[n+]2[O-]
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Smiles:
Clc1cccc2c1ccc[n+]2[O-]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__