AA63580
14559-14-9 | Diethyl 3-methylthiophene-2,4-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA63580
ChemicalName
Diethyl 3-methylthiophene-2,4-dicarboxylate
CasNumber
14559-14-9
MolecularFormula
C11H14O4S
MolecularWeight
242.2915
MdlNumber
MFCD02257711
Smiles
CCOC(=O)c1scc(c1C)C(=O)OCC
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
6
Xlogp3
2.7
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CatalogNumber: AA63580
ChemicalName: Diethyl 3-methylthiophene-2,4-dicarboxylate
CasNumber: 14559-14-9
MolecularFormula: C11H14O4S
MolecularWeight: 242.2915
MdlNumber: MFCD02257711
Smiles: CCOC(=O)c1scc(c1C)C(=O)OCC
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: 2.7
CatalogNumber:
AA63580
ChemicalName:
Diethyl 3-methylthiophene-2,4-dicarboxylate
CasNumber:
14559-14-9
MolecularFormula:
C11H14O4S
MolecularWeight:
242.2915
MdlNumber:
MFCD02257711
Smiles:
CCOC(=O)c1scc(c1C)C(=O)OCC
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
2.7
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
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Smiles:
COCCCNC(=O)c1cc([N+](=O)[O-])c2c(c1N)C(=O)c1c(C2=O)cccc1
Complexity:
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Smiles: CC1OC(C)CN(C1)N=O
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Smiles:
CC1OC(C)CN(C1)N=O
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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