AA63581
14559-12-7 | Ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA63581
ChemicalName
Ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CasNumber
14559-12-7
MolecularFormula
C11H14O2S
MolecularWeight
210.2927
MdlNumber
MFCD01838496
Smiles
CCOC(=O)c1csc2c1CCCC2
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AA63581
ChemicalName: Ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CasNumber: 14559-12-7
MolecularFormula: C11H14O2S
MolecularWeight: 210.2927
MdlNumber: MFCD01838496
Smiles: CCOC(=O)c1csc2c1CCCC2
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AA63581
ChemicalName:
Ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CasNumber:
14559-12-7
MolecularFormula:
C11H14O2S
MolecularWeight:
210.2927
MdlNumber:
MFCD01838496
Smiles:
CCOC(=O)c1csc2c1CCCC2
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.1
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Smiles: COCCCNC(=O)c1cc([N+](=O)[O-])c2c(c1N)C(=O)c1c(C2=O)cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
COCCCNC(=O)c1cc([N+](=O)[O-])c2c(c1N)C(=O)c1c(C2=O)cccc1
Complexity:
__
Covalently-bondedUnitCount:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC1OC(C)CN(C1)N=O
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CC1OC(C)CN(C1)N=O
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__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=c1o[nH]c(n1)c1ccccc1
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HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=c1o[nH]c(n1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__